SCHEMBL4581465

SCHEMBL4581465

CCCCOc1cc(C#N)ccc1-n1ccc2cc(OC)c(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.41
AR P10275 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
BRPF1 P55201 3/20 0.36
BRD1 O95696 2/20 0.36
BRD9 Q9H8M2 2/20 0.36
BRPF3 Q9ULD4 2/20 0.36
BRD4 O60885 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HTR6 P50406 2/20 0.35
CDC7 O00311 7/20 0.35
CDK2 P24941 3/20 0.35
MAP3K14 Q99558 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL14291381 0.83 MAPT (0.42) PDE3BPDE3A
SCHEMBL4581857 0.79 BRPF1 (0.39) ARBRPF1BRD1BRD9BRPF3
SCHEMBL4581705 0.78 MAPK1 (0.48)
SCHEMBL2163665 0.78 AR (0.55) ICMTARPPARDPPARA
SCHEMBL4581034 0.77 RAB9A (0.45)
SCHEMBL4581039 0.77 SMPD1 (0.41)
SCHEMBL4581042 0.77 RAB9A (0.45)
SCHEMBL9977584 0.75 AR (0.51) ICMTARPPARDPPARA
SCHEMBL7996217 0.73 ALDH1A1 (0.50) ICMTARPPARDPPARA
SCHEMBL27400816 0.71 ENPP3 (0.48) ARFFAR4BRPF1BRD1BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 ICMT 4799/4885AR 1554/4885FFAR4 3597/4885

“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.