SCHEMBL3008341

SCHEMBL3008341

COc1cc(C(=O)O)cc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.72
HSD17B2 P37059 5/20 0.72
KDM4E B2RXH2 2/20 0.63
RXRA P19793 1/20 0.61
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
GSTP1 P09211 1/20 0.54
ABL1 P00519 1/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
NR4A2 P43354 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5042258 0.85 KDM4E (0.74) HSD17B1HSD17B2KDM4ERXRACYP11B1
SCHEMBL3014596 0.84 HSD17B1 (1.00) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL729645 0.81 RXRA (0.54) HSD17B1HSD17B2KDM4ERXRAABL1
SCHEMBL3015910 0.81 HSD17B1 (1.00) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL3017396 0.81 HSD17B1 (1.00) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL14150399 0.80 RXRA (0.69) HSD17B1HSD17B2RXRACYP1A2CYP3A4
SCHEMBL30420728 0.80 RXRA (0.69) HSD17B1HSD17B2RXRACYP1A2CYP3A4
SCHEMBL7157751 0.80 RXRA (0.68) KDM4ERXRANR4A2NPC1RAB9A
SCHEMBL29128751 0.79 RXRA (0.72) KDM4ERXRACYP1A2CYP3A4CYP2C9
SCHEMBL29572748 0.79 RXRA (0.67) HSD17B1HSD17B2KDM4ERXRACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885KDM4E 2373/4885

“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.