SCHEMBL4581705

SCHEMBL4581705

CCCCOc1cc(C(N)=O)ccc1-n1ccc2cc(OC)c(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
PDE4B Q07343 4/20 0.43
SMPD1 P17405 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G4A P47712 1/20 0.41
PRSS1 P07477 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4581034 0.88 RAB9A (0.45) PDE4BSMPD1NPC1RAB9APRSS1
SCHEMBL4581042 0.88 RAB9A (0.45) PDE4BSMPD1NPC1RAB9APRSS1
SCHEMBL4581039 0.83 SMPD1 (0.41) PDE4BSMPD1NPC1RAB9APRSS1
SCHEMBL14291381 0.83 MAPT (0.42) MAPK1
SCHEMBL14291378 0.80 RAB9A (0.42) PDE4BSMPD1NPC1RAB9APRSS1
SCHEMBL4578786 0.80 ROCK2 (0.45) MAPK1NPC1RAB9APDE4D
SCHEMBL4581465 0.78 ICMT (0.41)
SCHEMBL15521570 0.77 MAPK1 (0.68) MAPK1PDE4BSMPD1PRSS1PDE4A
SCHEMBL23630666 0.74 MAPK1 (0.71) MAPK1PDE4BSMPD1PRSS1THRA
SCHEMBL598033 0.74 MAPK1 (0.71) MAPK1PDE4BSMPD1PRSS1THRA

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 6 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
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 MAPK1 490/4885PDE4B 2749/4885SMPD1 3970/4885

“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.