SCHEMBL3316442

SCHEMBL3316442

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SHBG P04278 1/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
MDH1 P40925 9/20 0.37
MDH2 P40926 9/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 3/20 0.36
MEN1 O00255 2/20 0.36
APAF1 O14727 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
ERBB2 P04626 2/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL480668 0.86 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMAPTNPC1
Ethylene Glycol SCHEMBL1832016 0.79 CYP3A4 (0.69) CYP3A4SMN1; SMN2SHBGMAPTNPC1
SCHEMBL10435899 0.79 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMAPTNPC1
SCHEMBL3316446 0.78 CNR2 (0.44) MAPTNPC1RAB9APOLBCYP2C9
SCHEMBL4672138 0.77 MAPT (0.71) CYP3A4SMN1; SMN2SHBGMAPTNPC1
Oxirane SCHEMBL28748999 0.77 CYP3A4 (0.53) CYP3A4SMN1; SMN2SHBGMAPTNPC1
SCHEMBL3312703 0.77 CYP3A4 (0.43) CYP3A4SMN1; SMN2SHBGMAPTNPC1
1,4-Butanediol SCHEMBL1592411 0.76 CYP3A4 (0.65) CYP3A4SMN1; SMN2SHBGMAPTNPC1
SCHEMBL14848539 0.75 ALDH1A1 (0.41) CYP3A4SMN1; SMN2MAPTRAB9APOLB
SCHEMBL28747587 0.74 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMAPTNPC1

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 CYP3A4 870/4885SMN1; SMN2 2169/4885SHBG 1415/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 CYP3A4 763/4885SMN1; SMN2 2351/4885SHBG 1203/4885

“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.