SCHEMBL3312703

SCHEMBL3312703

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SHBG P04278 1/20 0.40
RIPK1 Q13546 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.38
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
APAF1 O14727 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
ERBB2 P04626 2/20 0.38
TP53 P04637 2/20 0.38
FYN P06241 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38

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
SCHEMBL3318570 0.81 SMN1; SMN2 (0.40) CYP3A4SMN1; SMN2SHBGMAPTALDH1A1
SCHEMBL3312707 0.81 CNR2 (0.44) MAPTCNR1NPC1RAB9A
SCHEMBL3316442 0.77 CYP3A4 (0.49) CYP3A4SMN1; SMN2SHBGMAPTALDH1A1
SCHEMBL10435899 0.76 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGRIPK1MAPT
SCHEMBL480668 0.76 CYP3A4 (0.61) CYP3A4SMN1; SMN2SHBGMAPTALDH1A1
SCHEMBL6291051 0.74 TSHR (0.46) SMN1; SMN2RIPK1ALDH1A1HTTSLC6A4
SCHEMBL699306 0.73 NPSR1 (0.48) CYP3A4SMN1; SMN2SHBGMAPTALDH1A1
Sulfuric Acid SCHEMBL5052845 0.72 HTT (0.49) CYP3A4SMN1; SMN2ALDH1A1HTTHTR2A
SCHEMBL9769889 0.71 NPSR1 (0.58) CYP3A4SMN1; SMN2SHBGMAPTMEN1
SCHEMBL9227863 0.71 SMN1; SMN2 (0.45) CYP3A4SMN1; SMN2SHBGMAPTALDH1A1

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.