SCHEMBL5331875

SCHEMBL5331875

CC1=C(C(=O)OC(C)C)C(c2cccs2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.69
TSHR P16473 4/20 0.69
KDM4E B2RXH2 13/20 0.66
POLB P06746 3/20 0.66
LMNA P02545 2/20 0.66
AGTR1 P30556 1/20 0.66
CASP1 P29466 4/20 0.59
CASP7 P55210 4/20 0.59
USP2 O75604 2/20 0.59
ALDH1A1 P00352 10/20 0.55
HPGD P15428 6/20 0.55
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ADORA2B P29275 2/20 0.50
ALOX15 P16050 1/20 0.50
GAA P10253 3/20 0.48
GLA P06280 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3323799 0.88 KDM4E (0.56) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL4251720 0.87 KDM4E (0.66) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL5334637 0.87 HSD17B10 (0.62) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL5337234 0.87 HSD17B10 (0.64) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL23008940 0.85 KDM4E (0.58) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL5331931 0.81 KDM4E (0.72) HSD17B10TSHRKDM4ECASP1CASP7
SCHEMBL3324832 0.81 ALDH1A1 (0.49) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL3329935 0.80 ALOX15 (0.53) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL5332968 0.79 KDM4E (0.61) HSD17B10TSHRKDM4EPOLBLMNA
SCHEMBL3324525 0.79 ALDH1A1 (0.56) HSD17B10TSHRKDM4EPOLBLMNA

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 HSD17B10 3999/4885TSHR 1052/4885KDM4E 4033/4885

“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.