SCHEMBL3653135

SCHEMBL3653135

C=C[C@H]1CCC2C3CC[C@H]4CC(CC(=O)O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
CASP7 P55210 3/20 0.47
GPBAR1 Q8TDU6 3/20 0.47
BLM P54132 3/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
LMNA P02545 2/20 0.47
MDM4 O15151 1/20 0.47
HSPD1 P10809 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
EPHA2 P29317 1/20 0.47
BRCA1 P38398 1/20 0.47

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
SCHEMBL3655314 1.00 VDR (0.48) VDRCASP7GPBAR1BLMTP53
SCHEMBL3655313 1.00 VDR (0.48) VDRCASP7GPBAR1BLMTP53
SCHEMBL3653133 1.00 VDR (0.48) VDRCASP7GPBAR1BLMTP53
SCHEMBL9066592 0.82 SRD5A2 (0.61) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL13917761 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL3654366 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL3651742 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL3655510 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL3651739 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4
SCHEMBL3652170 0.79 LMNA (0.68) GPBAR1BLMMAPK1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045805-A1 Fragrance Compositions and Other Compositions Which Contain Naturally Occurring Substances Found in Corals HUMAN PHEROMONE SCIENCES, INC. (US) 2014-02-13 US disclosed
EP-2194962-A2 FRAGRANCE COMPOSITIONS AND OTHER COMPOSITIONS WHICH CONTAIN NATURALLY OCCURRING SUBSTANCES FOUND IN CORALS Human Pheromone Sciences, Inc. (US) 2010-06-16 EP disclosed
WO-2009039103-A2 FRAGRANCE COMPOSITIONS AND OTHER COMPOSITIONS WHICH CONTAIN NATURALLY OCCURRING SUBSTANCES FOUND IN CORALS HUMAN PHEROMONE SCIENCES, INC. (US) 2009-03-26 WO disclosed
US-20090075964-A1 FRAGRANCE COMPOSITIONS AND OTHER COMPOSITIONS WHICH CONTAIN NATURALLY OCCURRING SUBSTANCES FOUND IN CORALS HUMAN PHEROMONE SCIENCES, INC. (US) 2009-03-19 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-20090075964-A1 FRAGRANCE COMPOSITIONS AND OTHER COMPOSITIONS WHICH CONTAIN NATURALLY OCCURRING SUBSTANCES FOUND IN CORALS NR5A1, MC5R, CYP17A1 VDR 1001/4885CASP7 4658/4885GPBAR1 2493/4885
US-20140045805-A1 Fragrance Compositions and Other Compositions Which Contain Naturally Occurring Substances Found in Corals NR5A1, MC5R, CYP17A1 VDR 1001/4885CASP7 4658/4885GPBAR1 2493/4885

“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.