SCHEMBL14638475

SCHEMBL14638475

Cc1cc(C(F)=Cc2ccc(C(C)C)cc2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ TYR P14679 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL14637395 1.00 DAO (0.39) DAOHCAR2PTGS1PTGS2MAPT
SCHEMBL14636961 0.82 MME (0.36) DAOHCAR2PTGS1PTGS2MAPT
SCHEMBL14636963 0.82 MME (0.36) DAOHCAR2PTGS1PTGS2MAPT
SCHEMBL14637910 0.81 DAO (0.40) DAOHCAR2MAPTLMNAKMT2A
SCHEMBL14637909 0.81 DAO (0.40) DAOHCAR2MAPTLMNAKMT2A
SCHEMBL14653504 0.80 NPC1 (0.43) DAOHCAR2MAPTLMNAKMT2A
SCHEMBL14638296 0.80 DAO (0.39) DAOHCAR2MAPTLMNAKMT2A
SCHEMBL14637852 0.80 DHODH (0.47) DAOHCAR2PTGS1PTGS2MAPT
SCHEMBL14638297 0.80 DAO (0.39) DAOHCAR2MAPTLMNAKMT2A
SCHEMBL14637607 0.79 HDAC1 (0.35) DAOHCAR2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A DAO 2055/4885HCAR2 266/4885PTGS1 264/4885

“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.

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