SCHEMBL432804

SCHEMBL432804

CCOC(=O)CCc1ccc(OC)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STING1 Q86WV6 1/20 0.41

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
SCHEMBL4508144 0.93 CYP4F2 (0.49) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL9035569 0.90 CYP4F2 (0.49) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL6035972 0.85 POLB (0.68) CYP4F2CYP4A11POLBTSHRHPGD
SCHEMBL491098 0.85 POLB (0.54) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL434775 0.85 POLB (0.52) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL13742193 0.85 PPARG (0.47) POLBTSHRALDH1A1GAAHPGD
SCHEMBL9671446 0.85 CYP4F2 (0.47) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL3903179 0.84 CYP4F2 (0.52) CYP4F2CYP4A11POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL6983711 0.83 CYP4F2 (0.48) CYP4F2CYP4A11POLBTSHRALDH1A1
SCHEMBL13387961 0.83 POLB (0.50) CYP4F2CYP4A11POLBTSHRALDH1A1

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 11 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
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 CYP4F2 1747/4885CYP4A11 574/4885POLB 4647/4885

“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.