SCHEMBL15009044

SCHEMBL15009044

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL14653480 1.00 DAO (0.36) DAOHCAR2NPC1DHODHKMT2A
SCHEMBL14653504 0.88 NPC1 (0.43) DAOHCAR2NPC1DHODHKMT2A
SCHEMBL14637852 0.88 DHODH (0.47) DAOHCAR2NPC1DHODHKMT2A
SCHEMBL15009567 0.88 NPC1 (0.43) DAOHCAR2NPC1DHODHKMT2A
SCHEMBL14637850 0.88 DHODH (0.47) DAOHCAR2NPC1DHODHKMT2A
SCHEMBL14638354 0.87 NR1H2 (0.40) DAOHCAR2NPC1DHODH
SCHEMBL14638353 0.87 NR1H2 (0.40) DAOHCAR2NPC1DHODH
SCHEMBL15010267 0.83 DAO (0.33) DAOHCAR2KMT2AMEN1LMNA
SCHEMBL14653532 0.83 DAO (0.33) DAOHCAR2KMT2AMEN1LMNA
SCHEMBL14637909 0.81 DAO (0.40) DAOHCAR2NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US 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 266/4885NPC1 2526/4885

“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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