SCHEMBL10490665

SCHEMBL10490665

O=Cc1ccc(CCI)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2A6 P11509 4/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ALDH1A3 P47895 2/20 0.41
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TYR P14679 1/20 0.39
CYP2A13 Q16696 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.37
EGFR P00533 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
SCHEMBL17906209 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDALOX15ALOX12
SCHEMBL5429778 0.87 CYP2A6 (0.50) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL15458207 0.86 CYP2A6 (0.41) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL17906200 0.85 CDK1 (0.42) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL7522666 0.84 CYP2A6 (0.48) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL15452989 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL10621952 0.82 CYP2A6 (0.46) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL14330452 0.80 CYP2A6 (0.44) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL3976211 0.78 CYP2A6 (0.52) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1
SCHEMBL4024088 0.78 HSD17B10 (0.48) ALDH1A1HSD17B10HPGDCYP2A6ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed
CN-103717562-A Cyclic compound, method for producing same, composition, and method for forming resist pattern MITSUBISHI GAS CHEMICAL CO 2014-04-09 CN disclosed
US-20100179137-A1 PYRIDONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-15 US disclosed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 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-20100179137-A1 PYRIDONE COMPOUND PTGER4, P2RY4, PTGER1 ALDH1A1 1440/4885HSD17B10 1378/4885HPGD 258/4885

“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.