SCHEMBL216027

SCHEMBL216027

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
HSD17B1 P14061 2/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
STS P08842 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ESR1 P03372 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 2/20 0.49
ABCC4 O15439 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCC1 P33527 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL19226865 1.00 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216028 1.00 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216878 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216877 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5022388 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738541 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5016579 0.93 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738538 0.93 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16384493 0.92 LMNA (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738544 0.91 LMNA (0.56) 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 6 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
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
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.