SCHEMBL3246428

SCHEMBL3246428

[CH2]c1c(C)c(C)c(C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
TSHR P16473 5/20 0.37
MAPK1 P28482 3/20 0.37
CYP3A4 P08684 3/20 0.37
HIF1A Q16665 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 2/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
RAB9A P51151 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 4/20 0.36
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GPR3 P46089 2/20 0.35
AHR P35869 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ACHE P22303 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31

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
SCHEMBL357443 0.83 CYP1A2 (0.53) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL29660297 0.83 CYP1A2 (0.53) CYP1A2TSHRMAPK1CYP3A4HIF1A
Ammonia Solution, Strong SCHEMBL2263911 0.80 CYP1A2 (0.50) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL28539881 0.80 CYP1A2 (0.50) CYP1A2TSHRMAPK1CYP3A4HIF1A
Hydrazine SCHEMBL394386 0.77 CYP1A2 (0.47) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL167933 0.76 CYP1A2 (0.53) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL29379467 0.73 CYP1A2 (0.56) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL377040 0.73 CYP1A2 (0.56) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL2522239 0.73 ALDH1A1 (0.41) CYP1A2TSHRMAPK1CYP3A4HIF1A
SCHEMBL7192168 0.70 CYP1A2 (0.36) CYP1A2TSHRMAPK1CYP3A4HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP1A2 1561/4885TSHR 2306/4885MAPK1 470/4885

“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.