SCHEMBL435053

SCHEMBL435053

CCOC(=O)CCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.68
CYP4A11 Q02928 2/20 0.68
HRH3 Q9Y5N1 1/20 0.55
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP4Z1 Q86W10 1/20 0.54
SYK P43405 2/20 0.48
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45

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
SCHEMBL304455 0.95 CYP4F2 (0.74) CYP4F2CYP4A11HRH3CYP4Z1KMT2A
Ethane SCHEMBL27846059 0.93 CYP4F2 (0.72) CYP4F2CYP4A11HRH3CYP4Z1KMT2A
SCHEMBL11894639 0.88 CYP4F2 (0.70) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL23512483 0.88 CYP4F2 (0.70) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL68902 0.88 CYP4F2 (0.85) CYP4F2CYP4A11HRH3CYP4Z1TDP1
SCHEMBL2772418 0.87 CYP4F2 (0.68) CYP4F2CYP4A11HRH3CYP4Z1TDP1
SCHEMBL8613439 0.85 CYP4F2 (0.66) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL10736489 0.85 CYP4F2 (0.66) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL8567926 0.85 CYP4F2 (0.57) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL5050631 0.85 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1KMT2ACA12

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
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 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 (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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 CYP4F2 1747/4885CYP4A11 574/4885HRH3 545/4885

“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.