SCHEMBL220167

SCHEMBL220167

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC(C(=O)O)[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.65
▸ HSD17B1 P14061 2/20 0.65
▸ MAPT P10636 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.55
▸ ESR1 P03372 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ HRH3 Q9Y5N1 7/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ STS P08842 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ABCC1 P33527 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL218663 1.00 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738534 0.91 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218764 0.86 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738546 0.86 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218765 0.86 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8366649 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL21276838 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2760327 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14722915 0.85 USP2 (0.61) MAPTKDM4EALDH1A1CYP3A4HRH3
SCHEMBL218647 0.85 USP2 (0.61) MAPTKDM4EALDH1A1CYP3A4HRH3

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-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
EP-1685150-A2 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-08-02 — — EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 — — US disclosed
WO-2005047303-A2 NOVEL 17β HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-26 — — 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 (1 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-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 LMNA 2693/4885HSD17B1 2/4885MAPT 3025/4885

“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.

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