SCHEMBL13614803

SCHEMBL13614803

C=Cc1ccc(C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TUBB1 Q9H4B7 2/20 0.42
NFE2L2 Q16236 1/20 0.41
TRPA1 O75762 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 1/20 0.37
GPR183 P32249 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 2/20 0.34
TSHR P16473 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL13614493 0.84 ALDH1A1 (0.42) TP53TDP1ALDH1A1TUBB1HDAC8
SCHEMBL7595327 0.82 TP53 (0.45) TP53TDP1ALDH1A1TUBB1NFE2L2
SCHEMBL21094210 0.79 TUBB1 (0.45) TUBB1NFE2L2HDAC1HDAC6ACHE
SCHEMBL9107503 0.79 CHRNB2 (0.38) TP53TDP1ALDH1A1TUBB1TRPA1
SCHEMBL9107888 0.79 CHRNB2 (0.38) TP53TDP1ALDH1A1TUBB1TRPA1
SCHEMBL248639 0.78 NFE2L2 (0.50) TP53TDP1ALDH1A1NFE2L2TRPA1
SCHEMBL293173 0.78 ALDH1A1 (0.50) TP53TDP1ALDH1A1TUBB1TRPA1
SCHEMBL29662132 0.78 NFE2L2 (0.50) TP53TDP1ALDH1A1NFE2L2TRPA1
SCHEMBL29407001 0.78 ALDH1A1 (0.50) TP53TDP1ALDH1A1TUBB1TRPA1
SCHEMBL6730243 0.77 TUBB1 (0.42) TUBB1NFE2L2HDAC1HDAC6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 US disclosed
EP-4112606-A1 AROMATIC COMPOUND AND USE THEREOF IN PREPARING ANTINEOPLASTIC DRUGS Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-01-04 EP disclosed
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-20190250510-A1 PHOTOSENSITIVE COMPOSITION AND ORGANIC THIN-FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2019-08-15 US disclosed
US-20190250509-A1 PHOTOSENSITIVE COMPOSITION AND ORGANIC THIN-FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-15 US disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 US disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-103739440-B (Z)-2-bromo-1-fluoro-aromatic olefin type compound, as well as synthesis method and use thereof UNIV TONGJI 2015-04-08 CN disclosed
CN-103739440-A (Z)-2-bromo-1-fluoro-aromatic olefin type compound, as well as synthesis method and use thereof UNIV TONGJI 2014-04-23 CN disclosed
EP-2393802-B1 DIHYDROQUINOLINONE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-05-08 EP disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed
US-7306898-B2 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306898-B2 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
EP-1566267-B1 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORP (JP) 2007-04-18 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-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 TP53 247/4885TDP1 4690/4885ALDH1A1 278/4885
US-11661397-B2 1,4-disubstituted imidazole derivative NR4A3, NR0B1, NR2C2 TP53 247/4885TDP1 4690/4885ALDH1A1 278/4885
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, KDM1A, HDAC1 TP53 663/4885TDP1 2187/4885ALDH1A1 416/4885

“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.