SCHEMBL4208261

SCHEMBL4208261

CCC(=O)c1ccccc1OCOC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.52
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CAPN1 P07384 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HCRTR1 O43613 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL16972853 0.86 CAPN1 (0.47) KDM4EKMT2ACAPN1ALDH1A1RAB9A
SCHEMBL27823277 0.85 KDM4E (0.56) ABCB1KDM4EMEN1USP2TSHR
SCHEMBL14330483 0.84 ELANE (0.49) KDM4EMEN1TSHRKMT2AHSD17B10
SCHEMBL3029800 0.84 HCRTR1 (0.62) ABCB1KDM4EMEN1USP2TSHR
SCHEMBL30070812 0.84 ELANE (0.49) KDM4EMEN1TSHRKMT2AHSD17B10
SCHEMBL12379193 0.83 NPC1 (0.54) KDM4EKMT2AHSD17B10CAPN1ALDH1A1
SCHEMBL2290756 0.82 ALDH1A1 (0.61) KDM4EMEN1USP2TSHRKMT2A
SCHEMBL2047902 0.82 LMNA (0.64) ABCB1KDM4EALDH1A1POLBLMNA
SCHEMBL29738645 0.82 NPC1 (0.64) KMT2AALDH1A1RAB9ANPC1LMNA
SCHEMBL878658 0.82 NPC1 (0.64) KMT2AALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951633-B Mitotic kinesin inhibitors and methods of use thereof 阿雷生物药品公司 2017-05-10 CN disclosed
CN-103626720-B Mitotic kinesin inhibitors and using method thereof 阿雷生物药品公司 2016-11-16 CN disclosed
CN-103951633-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-07-30 CN disclosed
CN-103626720-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-03-12 CN disclosed
CN-101309912-B Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2013-09-25 CN disclosed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
CN-102532051-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2012-07-04 CN disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
CN-101309912-A Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD (JP) 2008-11-19 CN disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
CN-101083988-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-12-05 CN disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R ABCB1 3681/4885KDM4E 881/4885MEN1 64/4885

“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.