SCHEMBL7523935

SCHEMBL7523935

CCOc1cccc(CNC(C)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
ROCK2 O75116 1/20 0.39
CYP2C9 P11712 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
BCHE P06276 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL5267140 0.89 MEN1 (0.55) CASRMEN1KMT2APOLBBCHE
SCHEMBL5266095 0.86 CASR (0.47) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL5270476 0.81 MEN1 (0.57) CASRMEN1KMT2APOLBBCHE
SCHEMBL5270228 0.79 CASR (0.50) CASRPOLBCYP3A4CYP2D6CYP1A2
SCHEMBL5267163 0.78 POLB (0.47) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL5272097 0.78 CASR (0.49) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL5272173 0.78 CASR (0.45) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL5268423 0.78 BCHE (0.55) MEN1KMT2APOLBBCHEALDH1A1
SCHEMBL5273084 0.77 CASR (0.57) CASRMEN1KMT2AP2RX7POLB
SCHEMBL5266007 0.77 KMT2A (0.50) CASRSMN1; SMN2MEN1KMT2APOLB

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-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 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-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 CASR 3465/4885SMN1; SMN2 913/4885MEN1 467/4885

“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.