SCHEMBL9929337

SCHEMBL9929337

O=C(Cl)c1cccc(CF)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 2/20 0.44
MRGPRX4 Q96LA9 6/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4950108 0.83 ALDH1A1 (0.48) ALDH1A1TSHRFOLH1MRGPRX4LOXL2
SCHEMBL10655399 0.82 FOLH1 (0.66) ALDH1A1FOLH1MRGPRX4KMT2A
SCHEMBL30578357 0.82 FOLH1 (0.66) ALDH1A1FOLH1MRGPRX4KMT2A
SCHEMBL29472003 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1MRGPRX4LOXL2
SCHEMBL39676 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1MRGPRX4LOXL2
SCHEMBL16240333 0.82 PRSS1 (0.55) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL7021382 0.80 PARP1 (0.57) TSHRFOLH1MRGPRX4MEN1KMT2A
SCHEMBL46611 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1MRGPRX4LOXL2
SCHEMBL7637125 0.80 MAOB (0.51) ALDH1A1MRGPRX4MEN1NPC1RAB9A
SCHEMBL18412078 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1MRGPRX4LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1616384-A Difluoroalkylaromatics BAYER CHEMICALS AG (DE) 2005-05-18 CN claimed
CN-117384167-A Dihydropyrimidine [4,5-d ] pyrimidine-2 (H) -ketone Nrf2 activator and preparation method and application thereof 寒武智元(南京)生物医药科技有限公司 2024-01-12 CN disclosed
CN-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed
CN-106132923-B Oligoaniline derivative, charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-11-15 CN disclosed
CN-107210377-B Varnish for forming charge-transporting thin film 日产化学工业株式会社 2019-07-05 CN disclosed
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 CN disclosed
CN-107112428-B Charge-transporting varnish and organic electroluminescent device 日产化学工业株式会社 2019-01-22 CN disclosed
CN-104640858-B Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 霍夫曼-拉罗奇有限公司 2018-11-06 CN disclosed
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 CN disclosed
EP-2651912-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2018-10-03 EP disclosed
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN disclosed
WO-2012082506-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
CN-1849307-B Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht1f agonists LILLY CO ELI 2011-08-03 CN disclosed
CN-101801937-A Quinazolinone compounds and methods of use thereof ARQULE INC 2010-08-11 CN disclosed
CN-100577663-C Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO 2010-01-06 CN disclosed
CN-1849307-A As 5-HT1FSubstituted 2-carbonylamino-6-agonistsPiperidinylaminopyridines and substituted 1-carbonylamino-3-piperidinylaminophenyls LILLY CO ELI (US) 2006-10-18 CN disclosed
CN-1616384-A Difluoroalkylaromatics BAYER CHEMICALS AG (DE) 2005-05-18 CN disclosed
CN-1019668-B process for preparing quinolone carboxylic acid derivatives KYORIN SEIYAKU KK (JP) 1992-12-30 CN disclosed
CN-87101984-A Carbostyril carboxylic acid derivatives and preparation method thereof 1987-10-07 CN 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 (1 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-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, PPOX ALDH1A1 1243/4885TSHR 4783/4885FOLH1 3971/4885

“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.