SCHEMBL507958

SCHEMBL507958

Cc1ccc(C(F)(F)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
ACHE P22303 2/20 0.48
ALOX12 P18054 1/20 0.48
KIF11 P52732 7/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
NFE2L2 Q16236 1/20 0.41
HPGD P15428 1/20 0.41
PTPN5 P54829 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL822242 0.89 TSHR (0.55) TSHRALDH1A1LMNAACHEKIF11
SCHEMBL17943229 0.85 TSHR (0.48) TSHRALDH1A1LMNAACHEALOX12
SCHEMBL1108511 0.84 TSHR (0.65) TSHRALDH1A1KIF11CA1CA2
SCHEMBL822102 0.82 NFE2L2 (0.44) TSHRALDH1A1ACHEKIF11MEN1
SCHEMBL23894326 0.81 KIF11 (0.44) TSHRALDH1A1LMNAACHEALOX12
SCHEMBL9290946 0.81 ESR1 (0.48) TSHRALDH1A1LMNAACHEALOX12
SCHEMBL11349635 0.81 KIF11 (0.44) TSHRALDH1A1LMNAACHEALOX12
SCHEMBL2622748 0.79 CYP19A1 (0.47) TSHRALDH1A1ACHEKIF11MEN1
SCHEMBL2631997 0.79 KIF11 (0.47) TSHRALDH1A1LMNAACHEALOX12
SCHEMBL9632111 0.79 TSHR (0.57) TSHRALDH1A1LMNAACHEALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
EP-2220083-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
US-8821617-B2 Polyimide-co-polybenzoxazole copolymer, preparation method thereof, and gas separation membrane comprising the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2014-09-02 US disclosed
US-8821617-B2 Polyimide-co-polybenzoxazole copolymer, preparation method thereof, and gas separation membrane comprising the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2014-09-02 US disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
US-8785486-B2 Imidazo[1,2-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-07-22 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2004-12-09 US disclosed
US-6784327-B2 ORGANIC COMPOUNDS HAVING HYDROGEN ATOMS, WHICH SERVE AS STARTING MATERIALS, ARE FLUORINATED USING IF5 DAIKIN INDUSTRIES, LTD. (JP) 2004-08-31 US disclosed
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2003-09-18 US disclosed
CN-1436159-A Processes for production of fluorinated organic compounds and fluorinating agent DAIKIN IND LTD (JP) 2003-08-13 CN disclosed
EP-1304316-A1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS Daikin Industries, Ltd. (JP) 2003-04-23 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 (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-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 TSHR 2577/4885ALDH1A1 1019/4885LMNA 2705/4885
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 TSHR 2577/4885ALDH1A1 1019/4885LMNA 2705/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 TSHR 1139/4885ALDH1A1 4697/4885LMNA 3976/4885

“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.