SCHEMBL856043

SCHEMBL856043

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
XDH P47989 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
PDK2 Q15119 1/20 0.52
PDK4 Q16654 1/20 0.52

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
SCHEMBL1516592 0.85 GAA (0.44) GAALMNAKDM4EXDHPOLB
SCHEMBL17627594 0.85 AKR1C4 (0.60) GAALMNAKDM4EXDHPOLB
SCHEMBL27201757 0.85 CA12 (0.47) GAALMNAKDM4EXDHPOLB
SCHEMBL23714914 0.83 CA12 (0.46) GAALMNAKDM4EXDHPOLB
SCHEMBL24379448 0.83 CYP3A4 (0.49) GAALMNAKDM4EXDHPOLB
SCHEMBL3310733 0.83 KDR (0.43) GAALMNAKDM4EXDHPOLB
SCHEMBL3489830 0.81 GAA (0.42) GAALMNAKDM4EXDHPOLB
SCHEMBL16088526 0.81 CA12 (0.44) GAALMNAKDM4EXDHPOLB
SCHEMBL1620851 0.81 FAAH (0.55) GAALMNAKDM4EPOLBGFER
SCHEMBL30881900 0.81 CA12 (0.44) GAALMNAKDM4EXDHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108255-A1 POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2025-05-30 WO disclosed
WO-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed
US-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2024-08-20 US disclosed
WO-2024050433-A1 ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-03-07 WO disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP disclosed
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 US disclosed
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same Je II Pharmaceutical Co., Ltd. (KR) 2020-08-25 US disclosed
EP-3404033-B1 C-GLUCOSIDE DERIVATIVE CONTAINING FUSED PHENYL RING OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME JEIL PHARMACEUTICAL CO LTD (KR) 2020-08-05 EP disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1638961-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
EP-1560630-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2005-08-10 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US disclosed
WO-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005000837-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
WO-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
WO-2004039453-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2004-05-13 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 (5 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-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 GAA 3074/4885LMNA 3939/4885KDM4E 1530/4885
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 GAA 3074/4885LMNA 3939/4885KDM4E 1530/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 GAA 3093/4885LMNA 4573/4885KDM4E 1344/4885
US-10752604-B2 C-glucoside derivative containing fused phenyl ring or pharmaceutically acceptable salt thereof, process for preparing same, and pharmaceutical composition comprising same SLC5A2, SLC5A1, UGGT1 GAA 163/4885LMNA 4481/4885KDM4E 1061/4885
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 GAA 110/4885LMNA 4305/4885KDM4E 1075/4885

“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.