SCHEMBL2351004

SCHEMBL2351004

OCc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
FDFT1 P37268 1/20 0.46
MMP13 P45452 1/20 0.45
MPO P05164 1/20 0.45
TTR P02766 1/20 0.45
CETP P11597 1/20 0.44
F10 P00742 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
EPHX2 P34913 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 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
SCHEMBL29961829 0.87 PPARG (0.46) LTA4HFDFT1TTRCETPF10
SCHEMBL2350416 0.87 PPARG (0.46) LTA4HFDFT1TTRCETPF10
SCHEMBL29661187 0.85 LTA4H (0.67) LTA4HTTRFFAR4TSHRHSD17B10
SCHEMBL358425 0.85 LTA4H (0.67) LTA4HTTRFFAR4TSHRHSD17B10
SCHEMBL16455357 0.84 LTA4H (0.56) LTA4HTTRF10FFAR4LMNA
SCHEMBL5112767 0.84 LTA4H (0.55) LTA4HFDFT1TTRFFAR4LMNA
SCHEMBL30979265 0.84 LTA4H (0.55) LTA4HFDFT1TTRFFAR4LMNA
Methane SCHEMBL10579323 0.83 LTA4H (0.64) LTA4HTTRFFAR4TSHRHSD17B10
SCHEMBL1681007 0.82 SMN1; SMN2 (0.60) LTA4HMMP13FAAHSMN1; SMN2KDM4E
SCHEMBL1746839 0.82 FFAR1 (0.53) LTA4HMMP13TTRCETPF10

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US claimed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 EP disclosed
EP-0000345-B1 SUBSTITUTED PHENOXYBENZYLOXYCARBONYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES BAYER AG (DE) 1981-04-01 EP disclosed
US-4252820-A Arthropodicidal 2,2-dimethyl-3-(2-perfluoroalkyl-2-perhaloalkyl-vinyl)-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
EP-0001566-B1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1980-11-26 EP disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
EP-0011695-A1 Substituted cyclopropane carboxylic acids and their derivatives; their preparation and their use for the preparation of insecticides and acaricides BAYER AG (DE) 1980-06-11 EP disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 EP disclosed
EP-0008340-A1 Fluoroalkenyl-substituted cyclopropanecarboxylic acid esters, intermediate products therefor, preparation of the compounds and their utilization as insecticides and/or acaricides BAYER AG (DE) 1980-03-05 EP disclosed
EP-0001566-A2 Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides BAYER AG (DE) 1979-05-02 EP disclosed
EP-0000345-A1 Substituted phenoxybenzyloxycarbonyl derivatives, their preparation and their use as insecticides and acaricides BAYER AG (DE) 1979-01-24 EP 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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 LTA4H 1418/4885FDFT1 3463/4885MMP13 3737/4885

“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.