SCHEMBL328754

SCHEMBL328754

[c]1ncccc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 1/20 0.34
SCN4A P35499 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
BCAT2 O15382 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL1135453 0.78 MAOB (0.50) LTA4HTSHRMAPTKMT2ATDP1
SCHEMBL3538357 0.75 KDM4E (0.45) LTA4HTSHRKDM4ENPC1RAB9A
SCHEMBL4801302 0.73 LTA4H (0.45) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL20606107 0.71
SCHEMBL4144789 0.71
SCHEMBL303339 0.71
SCHEMBL224231 0.71 LTA4H (0.46) LTA4HTSHRMAPTKDM4EMAOA
SCHEMBL9481529 0.71 ADRA2A (0.35) TSHRKDM4EKMT2A
SCHEMBL1451346 0.70 LTA4H (0.55) LTA4HTSHRMAPTKDM4EGLA
SCHEMBL76698 0.67 LTA4H (0.50) LTA4HTSHRMAPTKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US claimed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP claimed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 US claimed
EP-2925741-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP claimed
US-8900725-B2 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. 2014-12-02 US claimed
US-8865322-B2 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-21 US claimed
WO-2014078609-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO claimed
EP-2407501-B1 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO LTD (KR) 2013-09-11 EP claimed
EP-2407502-B1 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO LTD (KR) 2013-06-19 EP claimed
US-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 US claimed
US-4743622-A FLUORO COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-10 US claimed
US-4694013-A Insecticidal and acaricidal phenoxypyrdinyl esters and intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-15 US claimed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP claimed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP claimed
EP-0191723-A1 Aromatic alkane derivatives, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-08-20 EP claimed
EP-0179018-A1 Substituted benzyl ethers, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-23 EP claimed
EP-0136451-A2 Arylmethyl-ether derivatives, pesticides containing these compounds and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1985-04-10 EP claimed
EP-0061114-B1 PHENOXYPYRIDYLMETHYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1984-12-12 EP claimed
EP-0001399-B1 PHENOXY-PYRIDINYL-ALCANOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1982-11-10 EP claimed
EP-0001399-A1 Phenoxy-pyridinyl-alcanols, process for their preparation and their use as fungicides BAYER AG (DE) 1979-04-18 EP claimed

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-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CLTB, CD40LG, DYNLL2 LTA4H 1118/4885TSHR 2558/4885MAPT 446/4885
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 LTA4H 996/4885TSHR 924/4885MAPT 4272/4885

“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.