SCHEMBL7079771

SCHEMBL7079771

C[C@]12CC[C@@H]3c4ccc(CC(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)O)C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 14/20 0.65
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
ESR1 P03372 3/20 0.47
STS P08842 2/20 0.47
ESR2 Q92731 2/20 0.47
AKR1B10 O60218 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
SERPINA6 P08185 1/20 0.47
CYP3A4 P08684 1/20 0.47
AR P10275 1/20 0.47
MAPT P10636 1/20 0.47
CYP19A1 P11511 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
SCHEMBL12379508 0.89 HSD17B1 (0.80) HSD17B1ESR1STSESR2AKR1B10
SCHEMBL7124870 0.85 HSD17B1 (0.64) HSD17B1KDM4EALDH1A1ESR1STS
SCHEMBL7124873 0.85 HSD17B1 (0.64) HSD17B1KDM4EALDH1A1ESR1STS
SCHEMBL12966886 0.84 HSD17B1 (0.81) HSD17B1CA1CA2CA5ACA9
SCHEMBL12379505 0.83 USP2 (0.64) HSD17B1KDM4EALDH1A1STSCYP3A4
SCHEMBL16148802 0.83 STS (0.70) HSD17B1KDM4EALDH1A1CA1CA2
SCHEMBL12418539 0.82 HSD17B1 (0.63) HSD17B1KDM4EALDH1A1STSLMNA
SCHEMBL12593969 0.81 HSD17B1 (0.80) HSD17B1ESR1STSESR2AKR1B10
SCHEMBL5682160 0.80 SHBG (0.46) HSD17B1KDM4EALDH1A1CA1CA2
SCHEMBL12379604 0.79 HSD17B1 (0.66) HSD17B1CA2CA9ESR1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670347-B2 Selective estrogens that show preference for one of the two known estogen receptors SCHERING AG (DE) 2003-12-30 US disclosed
EP-1322662-A1 19-NOR-17 ALPHA-PREGNA-1,3,5 (10)-TRIEN-17 BETA-OLS OF A 21,16 ALPHA-LACTONE RING Schering AG (DE) 2003-07-02 EP disclosed
US-20020156271-A1 19-nor-17alpha-pregna-1,3,5 (10) -trien-17beta-ols with a 21, 16alpha-lactone ring JENAPHARM GMBH & CO. KG (DE) 2002-10-24 US disclosed
WO-2002026763-A1 19-NOR-17α-PREGNA-1,3,5 (10)-TRIEN-17β-OLS OF A 21,16α-LACTONE RING SCHERING AG (DE) 2002-04-04 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-20020156271-A1 19-nor-17alpha-pregna-1,3,5 (10) -trien-17beta-ols with a 21, 16alpha-lactone ring HSD17B11, CYP17A1, CYP19A1 HSD17B1 10/4885KDM4E 2818/4885ALDH1A1 738/4885

“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.