SCHEMBL8914213

SCHEMBL8914213

COC(=O)CCc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
TSHR P16473 2/20 0.50
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL8935206 0.89 CYP4F2 (0.49) CYP4F2CYP4A11TSHRNOTUMALDH1A1
SCHEMBL10438855 0.88 CYP4F2 (0.58) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL13948679 0.88 CYP4F2 (0.55) CYP4F2CYP4A11TSHRNOTUMALDH1A1
SCHEMBL584923 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL13948404 0.84 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1LMNATAAR1
SCHEMBL28860950 0.84 CYP4F2 (0.50) CYP4F2CYP4A11NOTUMALDH1A1LMNA
SCHEMBL18802064 0.83 CYP4F2 (0.57) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL12955273 0.83 CYP4F2 (0.43) CYP4F2CYP4A11TSHRALDH1A1LMNA
Methyl 3-Phenylpropanoate SCHEMBL28403153 0.82 ALDH1A1 (0.57) CYP4F2CYP4A11ALDH1A1LMNATAAR1
SCHEMBL7058696 0.82 NOTUM (0.47) CYP4F2CYP4A11TSHRNOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
CN-115023413-A Rearrangement of dimethylphenyl acrylate using zeolite 帝斯曼知识产权资产管理有限公司 2022-09-06 CN disclosed
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed
CN-102917703-A Novel EP4 agonist KAKEN PHARMA CO LTD 2013-02-06 CN disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
CN-102209719-A Novel prostaglandins I2Derivatives of the same ASAHI GLASS CO LTD 2011-10-05 CN disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 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 (4 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-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB CYP4F2 3637/4885CYP4A11 4139/4885TSHR 4171/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 CYP4F2 546/4885CYP4A11 159/4885TSHR 1585/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP4F2 2279/4885CYP4A11 1486/4885TSHR 2239/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP4F2 435/4885CYP4A11 183/4885TSHR 743/4885

“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.