SCHEMBL930379

SCHEMBL930379

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=O)C[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.73
HSD17B10 Q99714 6/20 0.73
ALDH1A1 P00352 5/20 0.73
NR3C1 P04150 5/20 0.73
PGR P06401 5/20 0.73
CYP3A4 P08684 5/20 0.73
TSHR P16473 5/20 0.73
MAPK1 P28482 4/20 0.73
AR P10275 4/20 0.73
BLM P54132 3/20 0.73
PMP22 Q01453 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
MAPT P10636 3/20 0.73
NR1I2 O75469 2/20 0.73
NR3C2 P08235 2/20 0.73
NR1H4 Q96RI1 2/20 0.73
HIF1A Q16665 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
ESR1 P03372 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL930380 1.00 SMN1; SMN2 (0.73) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL9943274 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL9943275 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL13327486 0.86 SMN1; SMN2 (0.70) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12858540 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL14193742 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL13304392 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL177786 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL12153588 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
E-Guggulsterone SCHEMBL258031 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003748-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof JENNINGS-SPRING BARBARA L 2011-01-06 US claimed
US-20090214474-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS BARBARA BROOKE 2009-08-27 US claimed
EP-2077844-A2 METHOD OF TREQATMENT AND COMPOSITIONS OF D-CHRIRO INOSITOL AND PHOSPHATES THEREOF Jennings-Spring, Barbara L. (US) 2009-07-15 EP claimed
US-20080138379-A1 Preventing birth defects; administering formulation to women from preconception through first trimester of pregnancy JENNINGS-SPRING BARBARA L 2008-06-12 US claimed
WO-2008066634-A2 METHOD OF TREQATMENT AND COMPOSITIONS OF D-CHRIRO INOSITOL AND PHOSPHATES THEREOF JENNINGS-SPRING BARBARA L (US) 2008-06-05 WO claimed
US-20080103116-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof JENNINGS-SPRING BARBARA L 2008-05-01 US claimed
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT JENNINGS BARBARA BROOKE (US) 2026-01-01 US disclosed
US-12329766-B2 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS BARBARA BROOKE (US) 2025-06-17 US disclosed
US-20220110954-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT JENNINGS BARBARA BROOKE (US) 2022-04-14 US disclosed
US-20160143927-A1 Compounds, Methods, and Treatments for Abnormal Signaling Pathways for Prenatal and Postnatal Development JENNINGS BARBARA BROOKE (US) 2016-05-26 US disclosed
US-20110218176-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS-SPRING BARBARA BROOKE 2011-09-08 US disclosed
US-20110003748-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof JENNINGS-SPRING BARBARA L 2011-01-06 US disclosed
US-20090214474-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS BARBARA BROOKE 2009-08-27 US disclosed
EP-2077844-A2 METHOD OF TREQATMENT AND COMPOSITIONS OF D-CHRIRO INOSITOL AND PHOSPHATES THEREOF Jennings-Spring, Barbara L. (US) 2009-07-15 EP disclosed
US-20080138379-A1 Preventing birth defects; administering formulation to women from preconception through first trimester of pregnancy JENNINGS-SPRING BARBARA L 2008-06-12 US disclosed
WO-2008066634-A2 METHOD OF TREQATMENT AND COMPOSITIONS OF D-CHRIRO INOSITOL AND PHOSPHATES THEREOF JENNINGS-SPRING BARBARA L (US) 2008-06-05 WO disclosed
US-20080103116-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof JENNINGS-SPRING BARBARA L 2008-05-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220110954-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT PDK1, PKM, PDK2 SMN1; SMN2 1817/4885HSD17B10 2523/4885ALDH1A1 1478/4885
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT PDK1, IP6K1, IP6K3 SMN1; SMN2 942/4885HSD17B10 2850/4885ALDH1A1 2608/4885
US-20160143927-A1 Compounds, Methods, and Treatments for Abnormal Signaling Pathways for Prenatal and Postnatal Development PDK1, PKM, PDK2 SMN1; SMN2 1799/4885HSD17B10 2584/4885ALDH1A1 1758/4885
US-20110003748-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof PPIP5K2, SHBG, CYP24A1 SMN1; SMN2 1684/4885HSD17B10 821/4885ALDH1A1 2087/4885
US-20110218176-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development PDK1, PKM, PDK2 SMN1; SMN2 1799/4885HSD17B10 2584/4885ALDH1A1 1758/4885
US-20080138379-A1 Preventing birth defects; administering formulation to women from preconception through first trimester of pregnancy PGF, ERH, BRCA1 SMN1; SMN2 1127/4885HSD17B10 2395/4885ALDH1A1 2034/4885
US-12329766-B2 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development PDK1, PKM, PDK2 SMN1; SMN2 1817/4885HSD17B10 2523/4885ALDH1A1 1478/4885
US-20080103116-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof PPIP5K2, SHBG, CYP24A1 SMN1; SMN2 1684/4885HSD17B10 821/4885ALDH1A1 2087/4885
US-20090214474-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development SHH, ERH, CDK5 SMN1; SMN2 1174/4885HSD17B10 2418/4885ALDH1A1 1846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.