SCHEMBL3312707

SCHEMBL3312707

CCCCCC(C)(C)c1ccc(Oc2ccccc2[N+]#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.44
CNR1 P21554 9/20 0.44
LTA4H P09960 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3318573 0.83 CNR2 (0.40) CNR2CNR1MAPT
SCHEMBL3312703 0.81 CYP3A4 (0.43) CNR1NPC1MAPTRAB9A
SCHEMBL9577024 0.80 CNR2 (0.46) CNR2CNR1LTA4HNPC1MAPT
SCHEMBL3316446 0.80 CNR2 (0.44) CNR2CNR1LTA4HNPC1MAPT
SCHEMBL10435901 0.79 LTA4H (0.57) CNR2CNR1LTA4HNPC1MAPT
SCHEMBL990538 0.79 CNR2 (0.54) CNR2CNR1LTA4HNPC1MAPT
SCHEMBL699305 0.77 PSEN1 (0.49) CNR2CNR1NPC1MAPTRAB9A
SCHEMBL9227867 0.74 CNR2 (0.46) CNR2CNR1NPC1RAB9A
SCHEMBL8360026 0.72 CNR2 (0.46) CNR2CNR1NPC1MAPTRAB9A
SCHEMBL7024883 0.71 CNR2 (0.42) CNR2CNR1LTA4HNPC1MAPT

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 977/4885CNR1 1170/4885LTA4H 2235/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 CNR2 708/4885CNR1 1008/4885LTA4H 2288/4885

“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.