SCHEMBL20108991

SCHEMBL20108991

CCCOc1c(C)cc(C=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.46
SRC P12931 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL565487 0.90 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL13221149 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL5144244 0.80 SRC (0.47) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL14195844 0.79 S1PR2 (0.50) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL5351709 0.79 SRC (0.53) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL8035224 0.77 THRA (0.51) ALDH1A1KMT2AMAPTMEN1SRC
SCHEMBL8612271 0.75 SRC (0.50) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL30902486 0.75 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL4005149 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL7679676 0.75 SRC (0.46) ALDH1A1KMT2AMAPTL3MBTL1MEN1

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 3967/4885KMT2A 768/4885MAPT 1058/4885

“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.