SCHEMBL4200965

SCHEMBL4200965

Cc1cc(C(F)(C(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
TDP1 Q9NUW8 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
ESR1 P03372 2/20 0.41
AR P10275 1/20 0.41
ESR2 Q92731 1/20 0.41
S100B P04271 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
SKP2 Q13309 1/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 2/20 0.32
TP53 P04637 2/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL9578158 0.87 ALDH1A1 (0.41) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL4424761 0.85 ALDH1A1 (0.36) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4004120 0.82 ALDH1A1 (0.33) ALDH1A1TP53MAPT
SCHEMBL7458360 0.81 CHRNA1 (0.33) ALDH1A1
SCHEMBL28844796 0.80 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRARESR2
SCHEMBL8809021 0.80 HSD17B10 (0.41) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL27600779 0.80 ALDH1A1 (0.32) ALDH1A1KDM4EPKM
SCHEMBL28844880 0.80 FFAR4 (0.38) ALDH1A1TSHRARSMN1; SMN2KDM4E
SCHEMBL28844853 0.80 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23174685 0.78 ESR1 (0.52) TDP1ESR1ARESR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed
CN-101048370-B Optically active phthalamides BAYER CROPSCIENCE AG 2010-11-17 CN disclosed
US-20090118375-A1 Optically active phthalamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US disclosed
US-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-02-21 US disclosed
CN-101048370-A Optically active phthalamides BAYER CROPSCIENCE AG (DE) 2007-10-03 CN disclosed
EP-1789382-A2 OPTICALLY ACTIVE PHTHALAMIDES Bayer CropScience AG (DE) 2007-05-30 EP disclosed
EP-1789383-A1 CHIRAL 3-HALOPHTHALIC ACID DERIVATIVES Bayer CropScience AG (DE) 2007-05-30 EP disclosed
WO-2006024412-A2 OPTICALLY ACTIVE PHTHALAMIDES BAYER CROPSCIENCE AG (DE) 2006-03-09 WO disclosed
WO-2006024402-A1 CHIRAL 3-HALOPHTHALIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-03-09 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 (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-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives HDHD5, CRYZ, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP3A4 1730/4885TDP1 3948/4885ALDH1A1 834/4885
US-20090118375-A1 Optically active phthalamides CRYZ, CRY1, CRY2 CYP3A4 2560/4885TDP1 4231/4885ALDH1A1 1580/4885

“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.