SCHEMBL2511971

SCHEMBL2511971

COC(=O)c1cc(C=O)cc(Br)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
PTPN2 P17706 2/20 0.45
PTPN6 P29350 2/20 0.45
ALDH1A1 P00352 2/20 0.43
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
AURKA O14965 1/20 0.40
RAF1 P04049 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
ERN1 O75460 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4788121 0.83 PTP4A1 (0.47) PTPN1PTPN2PTPN6ALDH1A1KDM4E
SCHEMBL31487946 0.82 HPGD (0.50) ALDH1A1PTGS2KDM4EMAPK1POLB
SCHEMBL9287591 0.82 HPGD (0.50) ALDH1A1PTGS2KDM4EMAPK1POLB
SCHEMBL21712025 0.82 KDM4E (0.44) ALDH1A1PTGS2KDM4EGAAMAPK1
SCHEMBL3308517 0.81 ALDH1A1 (0.44) PTPN1ALDH1A1PTGS2KDM4EGAA
SCHEMBL4756891 0.80 ALDH1A1 (0.49) ALDH1A1PTGS2KDM4EGAAERN1
SCHEMBL5778489 0.80 ALDH1A1 (0.43) ALDH1A1PTGS2KDM4EGAACA12
SCHEMBL4756919 0.79 PTPN1 (0.69) PTPN1PTPN2PTPN6ERN1
SCHEMBL31497642 0.79 PTPN1 (0.69) PTPN1PTPN2PTPN6ERN1
SCHEMBL17627594 0.79 AKR1C4 (0.60) ALDH1A1KDM4EGAAMAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
US-12577227-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
US-20220242849-A1 WDR5 INHIBITORS AND MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-04 US disclosed
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO disclosed
US-8034945-B2 4-phenyl-5-OXO-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility N.V. ORGANON (NL) 2011-10-11 US disclosed
EP-1879580-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2009-03-11 EP disclosed
US-20080300270-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8,- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility MERCK SHARP & DOHME B.V. (NL) 2008-12-04 US disclosed
EP-1879580-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-23 EP disclosed
WO-2006117370-A1 4-PHENYL-5-OXO-l,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 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 (3 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-20220242849-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PTPN1 3135/4885PTPN2 3280/4885PTPN6 3029/4885
US-12577227-B2 WDR5 inhibitors and modulators WDR1, WDR5, WDR3 PTPN1 1847/4885PTPN2 2549/4885PTPN6 2052/4885
US-20080300270-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8,- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility FSHR, GNRHR, LHCGR PTPN1 2512/4885PTPN2 2935/4885PTPN6 3223/4885

“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.