SCHEMBL91625

SCHEMBL91625

CCC#CCOc1cc(N2CCCC(F)C2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 7/20 0.40
HRH4 Q9H3N8 1/20 0.38
ACACB O00763 2/20 0.36
PRCP P42785 4/20 0.35
LRRK2 Q5S007 4/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12580658 0.90 ELOVL1 (0.40) ELOVL1HRH4ACACBPRCPLRRK2
SCHEMBL84547 0.88 MAP4K4 (0.43) ELOVL1HRH4ACACBPRCP
SCHEMBL82251 0.78 MAP4K4 (0.43) ELOVL1HRH4ACACBPRCP
SCHEMBL83874 0.77 ACACB (0.38) ELOVL1HRH4ACACBCYP2C19
SCHEMBL81644 0.77 MAP4K4 (0.41) ELOVL1HRH4ACACBLRRK2CYP2C19
SCHEMBL13295292 0.75 CYP2C19 (0.38) ELOVL1HRH4ACACBCYP2C19
SCHEMBL13563528 0.73 MAP4K4 (0.47) ELOVL1ACACBPRCP
SCHEMBL84497 0.72 ELOVL1 (0.51) ELOVL1HRH4CYP2C19
SCHEMBL83628 0.71 ELOVL1 (0.52) ELOVL1HRH4LRRK2CYP2C19
SCHEMBL83794 0.71 ELOVL1 (0.52) ELOVL1HRH4LRRK2CYP2C19

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-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 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-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, CCNB3 ELOVL1 4617/4885HRH4 36/4885ACACB 1652/4885

“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.