SCHEMBL4345130

SCHEMBL4345130

COc1ccccc1-n1c(P(C(C)(C)C)C(C)(C)C)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.38
APLNR P35414 3/20 0.38
RPS6KB1 P23443 1/20 0.38
ROCK1 Q13464 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
SCN9A Q15858 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR3E A5X5Y0 1/20 0.35

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
SCHEMBL23075577 0.76 DRD2 (0.42) ALDH1A1TSHRRPS6KB1ROCK1PTGS2
SCHEMBL29593075 0.75 ALDH1A1 (0.47) ALDH1A1TSHRHPGDKDM4EHTT
SCHEMBL289737 0.75 ALDH1A1 (0.47) ALDH1A1TSHRHPGDKDM4EHTT
SCHEMBL288756 0.72 GAA (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL29370031 0.72 GAA (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23075579 0.71 ALDH1A1 (0.59) ALDH1A1TSHRAPLNRHPGDKDM4E
SCHEMBL9263233 0.70 SCN9A (0.51) ALDH1A1TSHRAPLNRPTGS2MAPT
SCHEMBL17212359 0.68 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL28181208 0.68 MGLL (0.47) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL23075576 0.67 NOD2 (0.55) ALDH1A1APLNRMAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231595-B1 PHENYL ACETIC ACID DERIVATIVES AS INFLAMMATION MODULATORS AMGEN INC (US) 2014-04-23 EP disclosed
US-8183293-B2 Phenyl acetic acid derivatives AMGEN INC. (US) 2012-05-22 US disclosed
CN-101903338-A Phenyl acetic acid derivatives as inflammation modulators AMGEN INC 2010-12-01 CN disclosed
US-20090275659-A1 Phenyl acetic acid derivatives as inflammation modulators AMGEN INC. (US) 2009-11-05 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-20090275659-A1 Phenyl acetic acid derivatives as inflammation modulators NFKBIA, HCAR2, NFATC1 ALDH1A1 260/4885TSHR 4792/4885APLNR 1260/4885

“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.