SCHEMBL6202266

SCHEMBL6202266

COc1ccc(C=O)c(C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERN1 O75460 7/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL19330829 0.85 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4898660 0.84 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL851964 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29953692 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29628664 0.81 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4011543 0.81 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10658941 0.79 ERN1 (0.58) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL17858436 0.79 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10541475 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRKDM4ETDP1
SCHEMBL29818683 0.78 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020114477-A1 COMPOUND ACTING AS IMMUNOMODULATOR, PREPARATION METHOD THEREFOR AND USES THEREOF 上海济煜医药科技有限公司 2020-06-11 WO disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 WO disclosed
EP-1370213-A4 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-26 EP disclosed
EP-1370213-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME Milliken & Company (US) 2003-12-17 EP disclosed
US-6548581-B2 Radiation transparent polyolefin MILLIKEN & COMPANY 2003-04-15 US disclosed
US-20030013786-A1 Novel asymmetric halogen-alkyl alditol derivatives as nucleators and clarifiers for polyolefins, and polyolefin plastic compositions containing same MILLIKEN & COMPANY 2003-01-16 US disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 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 (2 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-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885HPGD 2073/4885CYP1A2 1721/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885HPGD 2073/4885CYP1A2 1721/4885

“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.