SCHEMBL3240507

SCHEMBL3240507

CC(C)(C)c1ccc(CCO)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX5 P09917 1/20 0.42
BACE1 P56817 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ANO1 Q5XXA6 1/20 0.39
CA2 P00918 2/20 0.38
PPARA Q07869 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL3246604 0.85 ANO1 (0.40) ALDH1A1MAPTGAAKDM4ESLC6A2
SCHEMBL5144225 0.78 ALDH1A1 (0.42) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL26422443 0.77 ESR1 (0.42) ALDH1A1MAPTGAAKDM4ESLC6A2
SCHEMBL4720461 0.76 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL3828797 0.76 ALDH1A1 (0.59) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL18353675 0.75 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL30762210 0.75 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL8116834 0.74 F2 (0.45) ALDH1A1MAPTGAAANO1CA2
SCHEMBL8838838 0.74 L3MBTL1 (0.56) ALDH1A1ALOX5ANO1TDP1HTT
SCHEMBL8119937 0.74 CYP4F2 (0.54) MAPTGAAANO1TDP1HTT

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-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN 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
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN 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 ALDH1A1 874/4885MAPT 4153/4885GAA 3055/4885

“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.