SCHEMBL20575403

SCHEMBL20575403

Cc1ccc(C)n1-c1ccc(Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.54
NR4A1 P22736 2/20 0.54
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 4/20 0.40
SLC22A12 Q96S37 1/20 0.39
AOC3 Q16853 3/20 0.39
NOTUM Q6P988 1/20 0.38
CNR2 P34972 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9339091 0.79 GLA (0.46) MYCNR4A1S1PR4S1PR1KDM4E
SCHEMBL31393253 0.79 NPSR1 (0.50) MYCNR4A1KDM4EALDH1A1LMNA
SCHEMBL31733462 0.76 MYC (0.54) MYCNR4A1KDM4EALDH1A1LMNA
SCHEMBL10575241 0.76 S1PR4 (0.42) MYCNR4A1S1PR4S1PR1S1PR5
SCHEMBL12180605 0.75 ALDH1A1 (0.59) MYCNR4A1KDM4EALDH1A1LMNA
SCHEMBL26420035 0.74 S1PR4 (0.39) MYCNR4A1S1PR4S1PR1S1PR5
SCHEMBL6948406 0.73 ALDH1A1 (0.55) MYCNR4A1KDM4EALDH1A1LMNA
SCHEMBL28589898 0.72 KDM4E (0.41) MYCNR4A1KDM4EALDH1A1LMNA
SCHEMBL10574822 0.72 SMN1; SMN2 (0.61) S1PR4S1PR1S1PR5KDM4EALDH1A1
SCHEMBL1440318 0.72 MYC (0.42) MYCNR4A1KDM4EALDH1A1LMNA

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
CN-108349870-B Process for the preparation of intermediates of compounds which modulate kinase activity 正大天晴药业集团股份有限公司 2020-03-10 CN disclosed
US-20180346418-A1 KINASE ACTIVITY REGULATING COMPOUND INTERMEDIATES PREPARATION METHOD CENTAURUS BIOPHARMA CO LTD (CN) 2018-12-06 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-20180346418-A1 KINASE ACTIVITY REGULATING COMPOUND INTERMEDIATES PREPARATION METHOD MAP3K6, MAP3K13, MAP3K7 MYC 910/4885NR4A1 4273/4885S1PR4 3176/4885

“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.