SCHEMBL4547667

SCHEMBL4547667

Cc1c(F)cc(C=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.36
NFE2L2 Q16236 1/20 0.35
KIF11 P52732 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
XDH P47989 1/20 0.32
TSHR P16473 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL12594000 0.88 TUBB1 (0.42) HDAC1HDAC6CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL22490227 0.84 ALDH1A3 (0.37) HDAC1HDAC6CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL12746394 0.84 KDM4E (0.43) HDAC1HDAC6ALDH1A1SRCTUBB1
SCHEMBL13512685 0.81 ALDH1A1 (0.50) ALDH1A1NFE2L2TUBB1TSHRERN1
SCHEMBL19125728 0.78 SRC (0.41) CYP2A6ALDH1A1SMN1; SMN2SRCNFE2L2
SCHEMBL29950733 0.78 SRC (0.41) CYP2A6ALDH1A1SMN1; SMN2SRCNFE2L2
SCHEMBL20460600 0.78 KIF11 (0.44) CYP2A6ALDH1A1SMN1; SMN2NFE2L2KIF11
SCHEMBL48658 0.78 CES2 (0.42) CYP2A6ALDH1A1SMN1; SMN2KIF11TUBB1
SCHEMBL1811153 0.76 ALDH1A1 (0.39) CYP2A6ALDH1A1SMN1; SMN2KIF11XDH
SCHEMBL6738427 0.76 ALDH1A1 (0.42) CYP2A6ALDH1A1SMN1; SMN2KIF11XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY 2023-11-02 US disclosed
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
WO-2020228685-A9 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2021-02-18 WO disclosed
WO-2020228685-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2020-11-19 WO disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-23 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US 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 (8 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HDAC1 2845/4885HDAC6 1209/4885CYP2A6 3547/4885
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HDAC1 3407/4885HDAC6 3695/4885CYP2A6 2877/4885
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 HDAC1 682/4885HDAC6 1771/4885CYP2A6 1259/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 HDAC1 1744/4885HDAC6 1012/4885CYP2A6 122/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HDAC1 3407/4885HDAC6 3695/4885CYP2A6 2877/4885
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HDAC1 3407/4885HDAC6 3695/4885CYP2A6 2877/4885
US-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 HDAC1 515/4885HDAC6 1308/4885CYP2A6 190/4885
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS ALB, FABP1, FABP3 HDAC1 2839/4885HDAC6 1922/4885CYP2A6 4057/4885

“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.