SCHEMBL5332968

SCHEMBL5332968

CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
POLB P06746 4/20 0.61
LMNA P02545 3/20 0.61
AGTR1 P30556 1/20 0.61
ALDH1A1 P00352 6/20 0.57
USP2 O75604 4/20 0.57
MAPK1 P28482 2/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 9/20 0.53
TSHR P16473 4/20 0.53
CASP1 P29466 4/20 0.53
CASP7 P55210 3/20 0.53
HPGD P15428 3/20 0.51
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL5334637 0.92 HSD17B10 (0.62) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5418505 0.90 KDM4E (0.76) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5333309 0.89 KDM4E (0.66) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5479705 0.88 KDM4E (0.64) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5475535 0.88 KDM4E (0.67) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5309983 0.87 KDM4E (0.68) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5331860 0.86 KDM4E (0.61) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5332407 0.86 KDM4E (0.68) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL5330946 0.86 ALDH1A1 (0.60) KDM4EPOLBLMNAALDH1A1USP2
SCHEMBL5476396 0.85 KDM4E (0.68) KDM4EPOLBLMNAAGTR1ALDH1A1

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 KDM4E 4033/4885POLB 3870/4885LMNA 2421/4885

“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.