SCHEMBL23950370

SCHEMBL23950370

COc1ccc2c(c1)CCC1=C3CCC(=O)[C@@]3(C)CC[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
KDM1A O60341 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B1 P14061 1/20 0.39
RECQL P46063 1/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
METAP1 P53582 2/20 0.39

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
SCHEMBL23568674 0.83 AR (0.41) ARKDM1ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23569535 0.83 AR (0.41) ARKDM1ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23569538 0.82 KDM1A (0.42) ARKDM1AALDH1A1MAPTKDM4E
SCHEMBL25457709 0.82 KDM1A (0.42) ARKDM1AALDH1A1MAPTKDM4E
SCHEMBL227927 0.82 AR (0.46) ARKDM1ASMN1; SMN2PDE3BPDE3A
SCHEMBL6249460 0.81 SRD5A1 (0.44) ARKDM1ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23568679 0.81 AR (0.42) ARKDM1ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL25457710 0.78 KDM1A (0.44) ARKDM1AALDH1A1CYP3A4THRB
SCHEMBL6252680 0.78 AR (0.45) ARKDM1ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23569287 0.77 NR3C1 (0.56) ARKDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787835-B2 C19 scaffolds and steroids and methods of use and manufacture thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-10-17 US disclosed
US-11787835-B2 C19 scaffolds and steroids and methods of use and manufacture thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-10-17 US disclosed
US-20230151053-A1 METHODS FOR ASSEMBLY OF TETRACYCLIC COMPOUNDS BY STEREOSELECTIVE C9-C10 BOND FORMATION TRUSTEES OF DARTMOUTH COLLEGE 2023-05-18 US disclosed
US-20230151053-A1 METHODS FOR ASSEMBLY OF TETRACYCLIC COMPOUNDS BY STEREOSELECTIVE C9-C10 BOND FORMATION TRUSTEES OF DARTMOUTH COLLEGE 2023-05-18 US disclosed
US-20210323998-A1 C19 SCAFFOLDS AND STEROIDS AND METHODS OF USE AND MANUFACTURE THEREOF TRUSTEES OF DARTMOUTH COLLEGE 2021-10-21 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 (3 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-20230151053-A1 METHODS FOR ASSEMBLY OF TETRACYCLIC COMPOUNDS BY STEREOSELECTIVE C9-C10 BOND FORMATION C9, NDC1, RTCB AR 3914/4885KDM1A 4086/4885SMN1; SMN2 380/4885
US-20210323998-A1 C19 SCAFFOLDS AND STEROIDS AND METHODS OF USE AND MANUFACTURE THEREOF CYP17A1, HSD17B7, CYP11A1 AR 487/4885KDM1A 4109/4885SMN1; SMN2 1102/4885
US-11787835-B2 C19 scaffolds and steroids and methods of use and manufacture thereof CYP17A1, HSD17B7, CYP11A1 AR 487/4885KDM1A 4109/4885SMN1; SMN2 1102/4885

“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.