SCHEMBL3316446

SCHEMBL3316446

CCCCCC(C)(C)c1ccc(Oc2ccc([N+]#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 7/20 0.38
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL990538 0.87 CNR2 (0.54) CNR2NPC1RAB9AMAPTCNR1
SCHEMBL10435901 0.81 LTA4H (0.57) CNR2NPC1RAB9AMAPTCNR1
SCHEMBL3312707 0.80 CNR2 (0.44) CNR2NPC1RAB9AMAPTCNR1
SCHEMBL3316442 0.78 CYP3A4 (0.49) NPC1RAB9AMAPTCNR1POLB
SCHEMBL10713469 0.77 CNR2 (0.44) CNR2NPC1RAB9AMAPTCNR1
SCHEMBL7166616 0.76 CNR2 (0.53) CNR2CNR1
SCHEMBL3318573 0.76 CNR2 (0.40) CNR2MAPTCNR1CYP2C9
SCHEMBL23946280 0.75 MAPT (0.70) CNR2NPC1RAB9AMAPTCNR1
SCHEMBL2165531 0.74 CNR2 (0.51) CNR2CNR1
SCHEMBL10492948 0.74 NR5A1 (0.53) CNR2CNR1LTA4H

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
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-20010044553-A1 Novel compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2001-11-22 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 (2 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-20010044553-A1 Novel compound for color-producing composition, and recording material UROD, UMPS, UGT1A10 CNR2 977/4885NPC1 4665/4885RAB9A 1884/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 CNR2 708/4885NPC1 4357/4885RAB9A 1973/4885

“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.