SCHEMBL6333341

SCHEMBL6333341

CCC(Nc1ccccc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.54
BRD4 O60885 3/20 0.42
BRD2 P25440 1/20 0.42
EGFR P00533 1/20 0.42
TLK2 Q86UE8 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CHEK1 O14757 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RCE1 Q9Y256 1/20 0.38
GSK3B P49841 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL6333335 1.00 RET (0.54) RETBRD4BRD2EGFRTLK2
SCHEMBL6340169 0.91 RET (0.49) RETALDH1A1
SCHEMBL6779288 0.91 RET (0.49) RETALDH1A1
SCHEMBL6329682 0.90 RET (0.48) RETBRD4BRD2EGFRKDM4E
SCHEMBL6329674 0.90 RET (0.48) RETBRD4BRD2EGFRKDM4E
SCHEMBL6338432 0.89 RET (0.46) RETBRD4BRD2EGFRTLK2
SCHEMBL6331390 0.89 RET (0.56) RETBRD4BRD2EGFRALDH1A1
SCHEMBL6338436 0.89 RET (0.46) RETBRD4BRD2EGFRTLK2
SCHEMBL6331399 0.89 RET (0.56) RETBRD4BRD2EGFRALDH1A1
SCHEMBL6329194 0.89 RET (0.48) RETEGFRALDH1A1

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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI RET 154/4885BRD4 439/4885BRD2 1390/4885

“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.