SCHEMBL13327486

SCHEMBL13327486

C=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.70
HSD17B10 Q99714 6/20 0.70
ALDH1A1 P00352 5/20 0.70
NR3C1 P04150 5/20 0.70
PGR P06401 5/20 0.70
CYP3A4 P08684 5/20 0.70
TSHR P16473 5/20 0.70
MAPK1 P28482 4/20 0.70
AR P10275 4/20 0.70
BLM P54132 3/20 0.70
PMP22 Q01453 3/20 0.70
NPSR1 Q6W5P4 3/20 0.70
MAPT P10636 3/20 0.70
NR1I2 O75469 2/20 0.70
NR3C2 P08235 2/20 0.70
NR1H4 Q96RI1 2/20 0.70
HIF1A Q16665 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
ESR1 P03372 1/20 0.70

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 0.86 SMN1; SMN2 (0.73) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL930379 0.86 SMN1; SMN2 (0.73) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL9943275 0.86 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL9943274 0.86 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL3370108 0.85 CYP19A1 (0.77) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL14422722 0.85 CYP19A1 (0.77) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL5151424 0.85 CYP19A1 (0.77) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL22476664 0.85 CYP19A1 (0.77) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL22704745 0.85 CYP19A1 (0.77) SMN1; SMN2HSD17B10ALDH1A1NR3C1PGR
SCHEMBL17301638 0.83 SMN1; SMN2 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210775-A1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20100151002-A1 Guggulphospholipid Methods and Compositions JINA PHARMACEUTICALS, INC. (US) 2010-06-17 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 (2 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-20100151002-A1 Guggulphospholipid Methods and Compositions SGMS2, SGMS1, PLA2G5 SMN1; SMN2 3094/4885HSD17B10 550/4885ALDH1A1 4045/4885
US-20170210775-A1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS SGMS1, SGMS2, GGPS1 SMN1; SMN2 3304/4885HSD17B10 769/4885ALDH1A1 3991/4885

“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.