SCHEMBL10079402

SCHEMBL10079402

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 2/20 1.00
RECQL P46063 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
STS P08842 7/20 0.78
ESR1 P03372 3/20 0.76
ESR2 Q92731 2/20 0.76
KDM4E B2RXH2 2/20 0.76
CA1 P00915 2/20 0.76
CA2 P00918 2/20 0.76
CA9 Q16790 2/20 0.76
ABCC4 O15439 1/20 0.76
CYP2C9 P11712 1/20 0.76
ABCC1 P33527 1/20 0.76
SLCO1B1 Q9Y6L6 1/20 0.76
CA4 P22748 1/20 0.76
CA6 P23280 1/20 0.76
CYP3A4 P08684 3/20 0.72
CYP19A1 P11511 2/20 0.72

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
SCHEMBL15308964 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5017878 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5682139 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
Ethylene SCHEMBL11570544 0.98 HSD17B1 (0.95) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3872024 0.93 HSD17B1 (0.87) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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-10508121-B2 Cortistatin analogues and syntheses and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-12-17 US disclosed
US-20190185484-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-06-20 US disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
WO-2012051988-A2 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-04-26 WO 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-10508121-B2 Cortistatin analogues and syntheses and uses thereof CDK9, CDK19, HIF1AN HSD17B1 1531/4885LMNA 1585/4885MAPT 4144/4885
US-20190185484-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF CDK9, CDK19, HIF1AN HSD17B1 1531/4885LMNA 1585/4885MAPT 4144/4885
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 HSD17B1 12/4885LMNA 681/4885MAPT 4204/4885

“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.