SCHEMBL5337018

SCHEMBL5337018

CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 7/20 0.53
CASP1 P29466 6/20 0.53
HSD17B10 Q99714 5/20 0.53
CASP7 P55210 5/20 0.53
HPGD P15428 4/20 0.53
USP2 O75604 3/20 0.53
GLA P06280 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 3/20 0.46
GPBAR1 Q8TDU6 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.43
AGTR1 P30556 1/20 0.43
TSHR P16473 1/20 0.41
BAP1 Q92560 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5310139 0.88 ALDH1A1 (0.57) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5334201 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5479523 0.83 KDM4E (0.56) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5334064 0.82 KDM4E (0.58) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5335113 0.82 GPBAR1 (0.64) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5476328 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL3320674 0.81 GAA (0.60) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL3380465 0.81 GAA (0.51) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL18250198 0.81 KDM4E (0.47) ALDH1A1KDM4ECASP1HSD17B10CASP7
SCHEMBL5330608 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ECASP1HSD17B10CASP7

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
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 ALDH1A1 1488/4885KDM4E 4033/4885CASP1 951/4885

“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.