SCHEMBL17331104

SCHEMBL17331104

CC(=O)OCc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMO O15229 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MRGPRX4 Q96LA9 3/20 0.52
NR4A2 P43354 1/20 0.51
BCL2 P10415 1/20 0.50
PTGER1 P34995 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL20326231 0.84 ALDH1A1 (0.61) NPC1RAB9AALDH1A1MAPT
SCHEMBL487227 0.84 ALDH1A1 (0.78) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL6903869 0.83 ALDH1A1 (0.65) NPC1RAB9AALDH1A1MRGPRX4
SCHEMBL4198688 0.80 ALDH1A1 (0.69) NPC1RAB9AALDH1A1MAPTTDP1
SCHEMBL10243325 0.80 BCL2 (0.71) LMNAGAAKMOALDH1A1MRGPRX4
SCHEMBL13756311 0.80 BCL2 (0.71) LMNAGAAKMOALDH1A1MRGPRX4
SCHEMBL487699 0.80 ALDH1A1 (0.70) NPC1RAB9AALDH1A1MRGPRX4NR4A2
E1501 SCHEMBL16756657 0.79 ALDH1A1 (0.81) LMNARAB9AALDH1A1NR4A2TDP1
SCHEMBL100476 0.79 ALDH1A1 (0.68) NPC1RAB9AALDH1A1NR4A2
Biphenyl SCHEMBL11403488 0.79 ALDH1A1 (0.88) LMNANPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556103-B2 Biphenyl esters, their production and their use in the manufacture of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-01-31 US disclosed
US-20150361027-A1 Biphenyl Esters, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-12-17 US disclosed
WO-2015191281-A1 BIPHENYL ESTERS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-12-17 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-20150361027-A1 Biphenyl Esters, Their Production and Their Use in the Manufacture of Plasticizers CYP19A1, CYP1B1, CYP1A1 LMNA 3165/4885GAA 3082/4885NPC1 2364/4885

“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.