SCHEMBL219521

SCHEMBL219521

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HSD17B1 P14061 2/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
STS P08842 16/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2738578 1.00 LMNA (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219522 1.00 LMNA (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218635 0.91 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218634 0.91 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219380 0.88 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218800 0.88 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219814 0.87 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738573 0.87 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219815 0.87 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218604 0.87 LMNA (0.57) LMNAHSD17B1MAPTRECQLSMN1; 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 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 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.