SCHEMBL5331707

SCHEMBL5331707

CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
USP2 O75604 3/20 0.58
MAPK1 P28482 2/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 8/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CASP1 P29466 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 5/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL5329285 0.92 ALDH1A1 (0.57) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5330946 0.91 ALDH1A1 (0.60) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5311910 0.90 ALDH1A1 (0.71) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5480584 0.89 ALDH1A1 (0.60) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5334676 0.88 ALDH1A1 (0.60) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5332217 0.87 ALDH1A1 (0.64) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5328210 0.86 ALDH1A1 (0.62) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5340531 0.86 ALDH1A1 (0.58) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5479574 0.86 ALDH1A1 (0.56) ALDH1A1USP2MAPK1RAB9AGAA
SCHEMBL5331487 0.86 ALDH1A1 (0.62) ALDH1A1USP2MAPK1RAB9AGAA

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 1488/4885USP2 4362/4885MAPK1 4425/4885

“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.