SCHEMBL6163752

SCHEMBL6163752

COc1ccc(-c2cc(OC)ccc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SYK P43405 1/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
BACE1 P56817 1/20 0.55
HDAC4 P56524 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
DHFR P00374 1/20 0.53
PIM1 P11309 1/20 0.52
ABL1 P00519 1/20 0.52
ABCB1 P08183 1/20 0.52
BCR P11274 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
SCHEMBL29899709 0.98 CA12 (0.60) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL1045967 0.90 ACHE (0.52) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL27700749 0.88 ESR2 (0.59) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL8501330 0.88 L3MBTL1 (0.60) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL2091091 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL2783622 0.88 DHFR (0.55) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL29572032 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL835688 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL8503322 0.88 CA12 (0.65) KDM4EALDH1A1HPGDHSD17B10SYK
Nitrogen SCHEMBL11363866 0.87 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150526-B2 Biaryl-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-10-06 US disclosed
US-20140296296-A1 Biaryl-Propionic Acid Derivatives and their Use as Pharmaceuticals SANOFI (FR) 2014-10-02 US disclosed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO 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-20140296296-A1 Biaryl-Propionic Acid Derivatives and their Use as Pharmaceuticals CTSV, F2R, CTSF KDM4E 3963/4885ALDH1A1 269/4885HPGD 1273/4885

“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.