SCHEMBL20108986

SCHEMBL20108986

CCOc1cccc(C=O)c1OC(C)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.39
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18124583 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL7360392 0.87 SRC (0.41) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL29922833 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL181586 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL15330607 0.83 KMT2A (0.43) ALDH1A1SMN1; SMN2HPGDHTTSRC
SCHEMBL5562717 0.82 PTGDR2 (0.41) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL2553823 0.82 KMT2A (0.42) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL1253039 0.81 CA1 (0.54) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL20787588 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL15331030 0.80 KMT2A (0.40) ALDH1A1SMN1; SMN2HPGDHTTLMNA

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-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 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-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT ALDH1A1 3967/4885SMN1; SMN2 1443/4885HPGD 2482/4885

“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.