SCHEMBL4270834

SCHEMBL4270834

CCCCOc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
FAAH O00519 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LTA4H P09960 4/20 0.57
TP53 P04637 1/20 0.57
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
NR5A1 Q13285 1/20 0.55
CYP3A4 P08684 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 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
SCHEMBL5169009 0.96 NR5A1 (0.62) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL24398901 0.94 NR5A1 (0.66) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL10825058 0.94 NR5A1 (0.66) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL15924079 0.94 NR5A1 (0.66) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL13106427 0.92 TSHR (0.66) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL171915 0.91 L3MBTL1 (0.60) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL8377181 0.90 TSHR (0.55) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL7176783 0.90 CYP2D6 (0.59) TSHRFAAHCYP2D6CYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL8909093 0.88 L3MBTL1 (0.58) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL10338308 0.87 MEN1 (0.60) TSHRCYP2D6CYP1A2CYP2C19TDP1

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-2023225119-A1 STABILIZATION OF INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
EP-3783000-B1 MACROCYCLIC KINASE INHIBITOR HITGEN INC (CN) 2022-07-06 EP disclosed
EP-3783000-A1 MACROCYCLIC KINASE INHIBITOR Hitgen Inc. (CN) 2021-02-24 EP disclosed
WO-2020210919-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-22 WO disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 US disclosed
WO-2019201282-A1 MACROCYCLIC KINASE INHIBITOR 成都先导药物开发股份有限公司 2019-10-24 WO disclosed
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 EP disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
EP-0575361-A1 NEW 1-ARYL-4-PIPERAZINYL-CYCLOHEXANECARBOXYLIC ACID NITRILES, THEIR PRODUCTION AND THEIR USE. BASF AG (DE) 1993-12-29 EP disclosed
WO-1992016516-A1 NEW 1-ARYL-4-PIPERAZINYL-CYCLOHEXANECARBOXYLIC ACID NITRILES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-01 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TSHR 3747/4885FAAH 4576/4885CYP2D6 1271/4885
US-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 TSHR 2581/4885FAAH 1697/4885CYP2D6 1369/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO TSHR 3147/4885FAAH 1558/4885CYP2D6 616/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TSHR 3747/4885FAAH 4576/4885CYP2D6 1271/4885
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD TSHR 3727/4885FAAH 42/4885CYP2D6 588/4885

“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.