SCHEMBL16612331

SCHEMBL16612331

CCCCCCCCCCC(C)c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
GRIA4 P48058 1/20 0.43
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
ALDH1A1 P00352 4/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
NR1I2 O75469 1/20 0.39
CYP2A6 P11509 2/20 0.36
SLC2A1 P11166 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13126238 0.93 GRIA4 (0.51) TYRGRIA4ADH1BADH1CADH1A
SCHEMBL846594 0.93 TYR (0.53) TYRGRIA4ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13114247 0.89 TYR (0.43) TYRGRIA4ALDH1A1ALDH1A3ALDH3A1
SCHEMBL20645785 0.85 TYR (0.57) TYRGRIA4ALDH1A1ALDH1A3ALDH3A1
SCHEMBL6684351 0.85 SLC2A1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9137197 0.85 SLC2A1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16612428 0.84 NR1I2 (0.50) TYRGRIA4ADH1BADH1CADH1A
SCHEMBL6678858 0.83 OPRM1 (0.44) NR1I2SLC2A1GPR84
SCHEMBL12280336 0.83 S1PR2 (0.50) TYRGPR84MAPTS1PR2S1PR1
SCHEMBL16612380 0.83 NR1I2 (0.49) TYRGRIA4ADH1BADH1CADH1A

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
US-9745410-B2 Aromatic aldehyde, and epoxy resin curing agent and epoxy resin composition comprising the aromatic aldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-08-29 US disclosed
EP-2857378-B1 AROMATIC ALDEHYDE, EPOXY RESIN CURING AGENT COMPRISING AROMATIC ALDEHYDE, AND EPOXY RESIN COMPOSITION COMPRISING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2016-11-16 EP disclosed
US-20150111991-A1 AROMATIC ALDEHYDE, AND EPOXY RESIN CURING AGENT AND EPOXY RESIN COMPOSITION COMPRISING THE AROMATIC ALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-04-23 US disclosed
EP-2857378-A1 AROMATIC ALDEHYDE, EPOXY RESIN CURING AGENT COMPRISING AROMATIC ALDEHYDE, AND EPOXY RESIN COMPOSITION COMPRISING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2015-04-08 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-20150111991-A1 AROMATIC ALDEHYDE, AND EPOXY RESIN CURING AGENT AND EPOXY RESIN COMPOSITION COMPRISING THE AROMATIC ALDEHYDE ALDH1A1, AOX1, ALDH16A1 TYR 18/4885GRIA4 263/4885ADH1B 596/4885

“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.