SCHEMBL4896826

SCHEMBL4896826

CCCCCc1cc(Cl)cc2[nH]c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
HCAR2 Q8TDS4 6/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
TSHR P16473 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTRC Q99895 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
FFAR3 O14843 2/20 0.35
HCAR3 P49019 1/20 0.35
KMO O15229 1/20 0.35
TYMP P19971 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
KMT2A Q03164 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
SCHEMBL2313299 0.77 LMNA (0.45) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL17221547 0.77 NOS1 (0.45) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL11301720 0.73 NOS1 (0.50) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL10732234 0.71 CYP1A2 (0.52) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL13681634 0.71 NOS1 (0.52) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL8253228 0.68 NOS1 (0.49) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL17261393 0.68 NOS1 (0.49) SIRT2CYP1A2LMNAADRA2ATSHR
SCHEMBL31139539 0.68 NOS1 (0.49) CYP1A2LMNAADRA2ATSHRNOS3
SCHEMBL13688720 0.67 NOS1 (0.47) TSHRNOS3NOS1NOS2KMO
SCHEMBL3625570 0.67 ALOX5 (0.44) TSHRKMT2A

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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof POLRMT, PNP, TYMS SIRT2 2248/4885HCAR2 4030/4885CYP1A2 318/4885

“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.