SCHEMBL6932461

SCHEMBL6932461

CC(=O)Oc1ccc(C(=O)Cl)cc1CC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.59
AKR1C2 P52895 9/20 0.59
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 1/20 0.42
ABCB1 P08183 1/20 0.41
AKR1C4 P17516 1/20 0.41
ELANE P08246 1/20 0.41
AKT1 P31749 1/20 0.39

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
SCHEMBL6931615 0.88 HTT (0.63) AKR1C3AKR1C2HTTALDH1A1HPGD
SCHEMBL1607798 0.87 AKR1C3 (0.64) AKR1C3AKR1C2HTTALDH1A1HPGD
SCHEMBL1607722 0.84 AKR1C3 (0.57) AKR1C3AKR1C2HTTALDH1A1HPGD
SCHEMBL19061608 0.83 AKR1C3 (0.56) AKR1C3AKR1C2HTTALDH1A1HPGD
SCHEMBL18375151 0.82 AKR1C3 (0.64) AKR1C3AKR1C2HTTKDM4ERAB9A
SCHEMBL18087540 0.81 AKR1C3 (0.63) AKR1C3AKR1C2HTTALDH1A1RAB9A
SCHEMBL16710354 0.80 AKR1C3 (0.59) AKR1C3AKR1C2HTTALOX5ABCB1
SCHEMBL20472134 0.79 AKR1C3 (0.61) AKR1C3AKR1C2HTTALOX5ABCB1
SCHEMBL17049938 0.79 HTT (0.58) AKR1C3AKR1C2HTTALDH1A1HPGD
SCHEMBL20660497 0.78 HTT (0.53) AKR1C3AKR1C2HTTALDH1A1HPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585267-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS The University of Kansas (US) 2025-07-16 EP disclosed
EP-3068778-B1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIV KANSAS (US) 2025-02-19 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 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 (6 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-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 AKR1C3 1194/4885AKR1C2 1431/4885HTT 497/4885
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P AKR1C3 1964/4885AKR1C2 2289/4885HTT 285/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 AKR1C3 2899/4885AKR1C2 2362/4885HTT 3727/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P AKR1C3 1964/4885AKR1C2 2289/4885HTT 285/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 AKR1C3 1122/4885AKR1C2 1336/4885HTT 530/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 AKR1C3 3110/4885AKR1C2 2777/4885HTT 1080/4885

“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.