SCHEMBL6496545

SCHEMBL6496545

Cc1ccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ RAB9A P51151 7/20 0.62
▸ NPC1 O15118 6/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ MAPT P10636 5/20 0.62
▸ STAT1 P42224 1/20 0.62
▸ PTGER1 P34995 2/20 0.55
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19625345 0.87 SMN1; SMN2 (0.64) PTGS1PTGS2SMN1; SMN2RAB9ANPC1
SCHEMBL5698664 0.86 PTGS2 (0.66) PTGS1PTGS2SMN1; SMN2RAB9ANPC1
SCHEMBL17713571 0.81 SMN1; SMN2 (0.57) PTGS1PTGS2SMN1; SMN2RAB9ANPC1
SCHEMBL13236931 0.80 PTGS2 (0.65) PTGS1PTGS2KMT2ACYP2C9CYP3A4
SCHEMBL23402744 0.78 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6451935 0.78 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3281219 0.78 MAPK1 (0.56) PTGS1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1143708 0.77 RAB9A (1.00) PTGS1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5698695 0.77 PTGS2 (0.64) PTGS1PTGS2CYP2C9EPHX2
SCHEMBL21849180 0.75 GRN (0.56) PTGS1PTGS2SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 — — US disclosed
US-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage SHASUN PHARMA SOLUTIONS, INC. 2005-10-20 — — 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-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage AOC1, AOC3, NUDT1 PTGS1 1096/4885PTGS2 965/4885SMN1; SMN2 3694/4885

“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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