SCHEMBL217670

SCHEMBL217670

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCCC(=O)NCc4ccccc4)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HSD17B1 P14061 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HRH3 Q9Y5N1 10/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ STS P08842 1/20 0.44
▸ ESR1 P03372 1/20 0.42

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
SCHEMBL14087550 1.00 LMNA (0.49) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL217671 1.00 LMNA (0.49) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL218026 0.98 LMNA (0.48) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL218027 0.98 LMNA (0.48) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL218450 0.97 LMNA (0.47) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL218449 0.97 LMNA (0.47) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL217537 0.91 LMNA (0.46) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL217538 0.91 LMNA (0.46) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL2738634 0.91 LMNA (0.47) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL218862 0.91 LMNA (0.49) LMNAMAPTHSD17B1RECQLSMN1; 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 7 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 claimed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP claimed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
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
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

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 2693/4885MAPT 3025/4885HSD17B1 2/4885

“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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