SCHEMBL5958751

SCHEMBL5958751

Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
RECQL P46063 1/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 2/20 0.37
AR P10275 1/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8508038 0.90 HSD17B10 (0.42) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL29399630 0.83 ESR1 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL29412586 0.83 ESR1 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL766058 0.83 ESR1 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL1025130 0.83 ALDH1A1 (0.59) HSD17B10ALOX15MEN1KMT2AGAA
SCHEMBL6823132 0.83 ALDH1A1 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL1025296 0.83 ALDH1A1 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL3947426 0.83 HSD17B10 (0.50) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL11371728 0.82 SMN1; SMN2 (0.46) HSD17B10ALOX15CYP3A4MEN1KMT2A
SCHEMBL5958675 0.80 ALDH1A1 (0.41) HSD17B10ALOX15CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583922-B Fluorine-containing N- (3- (benzoxazol-2-yl) phenyl) amide compound and preparation method and application thereof 黄山学院 2023-09-19 CN disclosed
CN-115583922-B Fluorine-containing N- (3- (benzoxazol-2-yl) phenyl) amide compound and preparation method and application thereof 黄山学院 2023-09-19 CN disclosed
EP-2955178-A1 CONDENSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-12-16 EP disclosed
CN-104024222-A PHTHALAMIDE DERIVATIVE, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL APPLICATIONS WHICH COMPRISES SAID DERIVATIVE, AND METHOD OF UTILIZING SAID PESTICIDE NIHON NOHYAKU CO LTD 2014-09-03 CN disclosed
WO-2013065725-A1 PHTHALAMIDE DERIVATIVE, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL APPLICATIONS WHICH COMPRISES SAID DERIVATIVE, AND METHOD OF UTILIZING SAID PESTICIDE 日本農薬株式会社 (JP) 2013-05-10 WO disclosed
WO-2010018714-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT 三井化学アグロ株式会社 (JP) 2010-02-18 WO disclosed
EP-1006102-B1 Process for the production of perfluoroalkylated aniline derivatives NIHON NOHYAKU CO LTD (JP) 2006-08-30 EP disclosed
US-6717013-B2 EASILY ATTAINED WITH HIGH POSITIONAL SELECTIVITY AND YIELD; INTERMEDIATES AND RAW MATERIALS NIHON NOHYAKU CO., LTD. (JP) 2004-04-06 US disclosed
EP-1380568-A2 Perfluoroalkylaniline derivatives NIHON NOHYAKU CO., LTD. (JP) 2004-01-14 EP disclosed
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2003-10-30 US disclosed
US-6600074-B2 Useful as intermediates or raw materials for the synthesis of agricultural chemicals, pharmaceuticals NIHON NOHYAKU CO., LTD. (JP) 2003-07-29 US disclosed
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2002-12-26 US disclosed
EP-1006102-A2 Aniline derivative and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2000-06-07 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 (2 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-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 HSD17B10 203/4885ALOX15 1799/4885CYP3A4 107/4885
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 HSD17B10 203/4885ALOX15 1799/4885CYP3A4 107/4885

“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.