SCHEMBL3247823

SCHEMBL3247823

CC(=O)O[CH]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
TOP1 P11387 1/20 0.40
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 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
Allylbenzene SCHEMBL28273138 0.82 ALDH1A1 (0.46) ALDH1A1MAOBPTGS2TSHRSMN1; SMN2
SCHEMBL4254918 0.81 MAOB (0.50) ALDH1A1MAOBLMNACES2CES1
SCHEMBL3359398 0.81 MAOB (0.50) ALDH1A1MAOBLMNACES2CES1
SCHEMBL3359392 0.81 MAOB (0.50) ALDH1A1MAOBLMNACES2CES1
Allylbenzene SCHEMBL28861610 0.79 ALDH1A1 (0.43) ALDH1A1PTGS2TSHRSMN1; SMN2CYP2C9
SCHEMBL6025445 0.78 MAOB (0.41) ALDH1A1MAOBLMNACES2CES1
SCHEMBL10746235 0.78 ALDH1A1 (0.55) ALDH1A1MAOBTSHRSMN1; SMN2CA1
SCHEMBL10936100 0.77 MAOB (0.40) ALDH1A1MAOBCES2CES1AKR1B1
SCHEMBL28066382 0.77 ALDH1A1 (0.44) ALDH1A1MAOBLMNACES2CES1
SCHEMBL16087781 0.77 TSHR (0.53) ALDH1A1MAOBLMNATSHRSMN1; SMN2

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 ALDH1A1 874/4885MAOB 860/4885LMNA 1519/4885

“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.