SCHEMBL218539

SCHEMBL218539

CCOC(=O)CCCC1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HRH3 Q9Y5N1 12/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ HSD17B1 P14061 1/20 0.45
▸ STS P08842 2/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL218540 1.00 USP2 (0.51) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217619 0.91 USP2 (0.55) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217620 0.91 USP2 (0.55) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217502 0.89 USP2 (0.52) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217503 0.89 USP2 (0.52) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL2738503 0.88 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217880 0.88 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL962193 0.88 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL962194 0.88 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL16384615 0.88 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1

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 3 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
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 USP2 1907/4885MAPT 3025/4885MAPK1 1903/4885

“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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