SCHEMBL10296148

SCHEMBL10296148

CONC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
THRB P10828 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 3/20 0.58
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
ANPEP P15144 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL27709327 1.00 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL5934809 0.98 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL5934813 0.98 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
Iodide SCHEMBL28191625 0.97 ATM (0.58) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7021895 0.89 MMP8 (0.56) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7021893 0.89 MMP8 (0.56) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL599322 0.88 FPR2 (0.57) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL599323 0.88 FPR2 (0.57) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL21724949 0.86 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL21724950 0.86 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 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 (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-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 ATM 1499/4885ALDH1A1 59/4885CYP2C9 3363/4885

“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.