SCHEMBL6415649

SCHEMBL6415649

OC[C@H](Nc1ccc2cc(Cl)ccc2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ PHGDH O43175 2/20 0.44
▸ EGFR P00533 3/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ ERBB2 P04626 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ RET P07949 2/20 0.42
▸ ROS1 P08922 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ FGFR4 P22455 2/20 0.42
▸ FGFR3 P22607 2/20 0.42
▸ LTK P29376 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ MERTK Q12866 2/20 0.42
▸ ERBB4 Q15303 2/20 0.42
▸ ALK Q9UM73 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2311758 0.77 PHGDH (0.45) PHGDHEGFRKDM4EMEN1ALDH1A1
SCHEMBL2306529 0.77 PHGDH (0.45) PHGDHEGFRKDM4EMEN1ALDH1A1
SCHEMBL17664356 0.73 S1PR3 (0.62) S1PR3
SCHEMBL18434128 0.71 MEN1 (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15870578 0.71 CCNC (0.62) CCNCCDK8EGFRABL1ERBB2
SCHEMBL11266049 0.70 NPC1 (0.48) CCNCCDK8PHGDHEGFRMEN1
SCHEMBL5208152 0.70 CCNC (0.61) CCNCCDK8RETSRCKDR
SCHEMBL5820529 0.70 CCNC (0.61) CCNCCDK8RETSRCKDR
SCHEMBL5820533 0.70 CCNC (0.61) CCNCCDK8RETSRCKDR
SCHEMBL3228804 0.69 CCNC (0.52) CCNCCDK8EGFRKDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 — — 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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A CCNC 3274/4885CDK8 3083/4885PHGDH 404/4885

“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.

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