SCHEMBL1180643

SCHEMBL1180643

Oc1cccc(-c2nnc(-c3cccc(O)c3)nn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 12/20 1.00
HSD17B2 P37059 12/20 1.00
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 2/20 0.61
CA12 O43570 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
METAP2 P50579 1/20 0.52
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL29444135 1.00 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL13977600 0.89 HSD17B1 (0.80) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL13977593 0.87 HSD17B1 (0.76) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL23868941 0.85 HSD17B1 (0.74) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL18024854 0.83 HSD17B1 (0.69) HSD17B1HSD17B2CYP3A4CYP2C9LMNA
SCHEMBL27625438 0.81 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL29551999 0.81 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL69369 0.81 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL27960514 0.79 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL8050006 0.78 HSD17B1 (0.94) HSD17B1HSD17B2CYP3A4CYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US claimed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP claimed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO claimed
EP-3357961-B1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT OTSUKA CHEMICAL CO LTD (JP) 2022-01-05 EP disclosed
WO-2021006085-A1 PHENOLIC RESIN COMPOSITION, METHOD FOR PRODUCING PHENOLIC RESIN COMPOSITION, AND RUBBER PRODUCT 住友ベークライト株式会社 2021-01-14 WO disclosed
WO-2021006084-A1 PHENOLIC RESIN FOR RUBBER COMPOSITION, RUBBER COMPOSITION, AND RUBBER PRODUCT 住友ベークライト株式会社 2021-01-14 WO disclosed
US-20200231782-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT OTSUKA CHEMICAL CO., LTD. (JP) 2020-07-23 US disclosed
WO-2020145089-A1 RUBBER COMPOSITION AND RUBBER PRODUCT 住友ベークライト株式会社 2020-07-16 WO disclosed
US-20200190293-A1 RUBBER COMPOSITION, METHOD FOR MANUFACTURING RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-06-18 US disclosed
EP-3608363-A1 RUBBER COMPOSITION, METHOD FOR PRODUCING RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2020-02-12 EP disclosed
CN-110382554-A Reaction product and rubber composition 大塚化学株式会社 2019-10-25 CN disclosed
US-20180273723-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT OTSUKA CHEMICAL CO., LTD. (JP) 2018-09-27 US disclosed
EP-3357961-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT Otsuka Chemical Holdings Co., Ltd. (JP) 2018-08-08 EP disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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 (2 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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885CYP3A4 343/4885
US-20200231782-A1 ADDITIVE FOR IMPARTING LOW HEAT BUILD-UP TO RUBBER COMPONENT SAAL1, HSPA4L, ARL1 HSD17B1 1207/4885HSD17B2 1934/4885CYP3A4 1605/4885

“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.