SCHEMBL12460672

SCHEMBL12460672

Cc1ccc(OCF)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
WDR5 P61964 1/20 0.48
ACHE P22303 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 2/20 0.45
NQO1 P15559 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL12754475 0.93 DRD2 (0.44) DRD2DRD4DRD3WDR5ACHE
SCHEMBL13808350 0.89 GRM5 (0.44) DRD2DRD4DRD3WDR5ACHE
SCHEMBL10000967 0.81 KCNH2 (0.38) DRD2DRD4DRD3WDR5ACHE
SCHEMBL2628228 0.80 L3MBTL1 (0.59) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL8274286 0.80 L3MBTL1 (0.59) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL22224042 0.80 DRD2 (0.50) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL13663829 0.80 CYP2A6 (0.54) DRD2DRD4DRD3MAPTTDP1
SCHEMBL16385726 0.79 CA1 (0.58) ACHEMAPTTDP1MAOB
SCHEMBL14588243 0.79 NQO1 (0.74) NQO1MAPTTDP1
SCHEMBL12585056 0.78 DRD2 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 US disclosed
EP-2935514-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-01 EP disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 US disclosed
EP-1805170-B1 MIF-INHIBITORS NOVARTIS AG (CH) 2010-04-14 EP disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 US disclosed
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1839655-A1 CTGF EXPRESSION INHIBITOR Shionogi Co., Ltd. (JP) 2007-10-03 EP 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 (9 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP DRD2 4763/4885DRD4 4671/4885DRD3 4172/4885
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MLX, FOXM1, SFXN1 DRD2 2591/4885DRD4 2609/4885DRD3 2121/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 DRD2 1352/4885DRD4 2413/4885DRD3 1515/4885
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 DRD2 1262/4885DRD4 904/4885DRD3 584/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 DRD2 4389/4885DRD4 4678/4885DRD3 4517/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 DRD2 139/4885DRD4 181/4885DRD3 161/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK DRD2 1258/4885DRD4 1219/4885DRD3 1632/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT DRD2 3470/4885DRD4 3330/4885DRD3 3612/4885
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism PLG, MGAT3, F11 DRD2 2971/4885DRD4 2427/4885DRD3 2886/4885

“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.