SCHEMBL5203613

SCHEMBL5203613

CC(C=O)=Cc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 4/20 0.54
NFE2L2 Q16236 4/20 0.50
FBP1 P09467 1/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
CHRM5 P08912 1/20 0.46
GRM5 P41594 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL6472412 1.00 ALDH1A1 (0.60) ALDH1A1TSHRPTGS1NFE2L2FBP1
SCHEMBL28193775 1.00 ALDH1A1 (0.60) ALDH1A1TSHRPTGS1NFE2L2FBP1
SCHEMBL28193732 0.80 ALDH1A1 (0.52) ALDH1A1TSHRPTGS1FBP1MAOA
SCHEMBL6777780 0.80 PTGS1 (0.61) PTGS1NFE2L2FBP1MAOBNPC1
SCHEMBL3222249 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPTGS1FBP1MAOA
SCHEMBL3222257 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPTGS1FBP1MAOA
SCHEMBL10410990 0.79 ALDH1A1 (0.62) ALDH1A1TSHRPTGS1FBP1MAOA
SCHEMBL21294254 0.78 ALDH1A1 (0.60) ALDH1A1TSHRMAOAMAOBKMT2A
SCHEMBL28276249 0.78 ALDH1A1 (0.60) ALDH1A1TSHRPTGS1NPC1RAB9A
SCHEMBL28108410 0.77 ALDH1A1 (0.55) ALDH1A1TSHRNFE2L2FBP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658945-A A kind of Antitubulin(VDA-1)A crystal forms 深圳海王医药科技研究院有限公司 2018-10-16 CN disclosed
US-20070265231-A1 Hydrazide Compounds for Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2007-11-15 US disclosed
CN-101068468-A Hydrazide compounds for combating animal pests BASF AG (DE) 2007-11-07 CN disclosed
EP-1819224-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006058730-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 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 (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-20070265231-A1 Hydrazide Compounds for Combating Animal Pests HRH4, CBR3, HRH2 ALDH1A1 580/4885TSHR 934/4885PTGS1 1637/4885

“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.