SCHEMBL584253

SCHEMBL584253

OCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.54
RECQL P46063 1/20 0.54
LTA4H P09960 1/20 0.50
NOS1 P29475 3/20 0.49
MAOB P27338 5/20 0.49
AOC3 Q16853 1/20 0.49
NR1I2 O75469 1/20 0.48
PPARA Q07869 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL12676015 0.96 CYP3A4 (0.54) CYP3A4SMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL7747383 0.94 LTA4H (0.58) CYP3A4SMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL12669344 0.91 APP (0.51) CYP3A4SMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL225915 0.90 NOS1 (0.50) CYP3A4SMN1; SMN2ALDH1A1LTA4HNOS1
SCHEMBL14548566 0.89 MAOB (0.66) CYP3A4SMN1; SMN2MAOBPPARA
SCHEMBL5320737 0.89 APP (0.53) CYP3A4SMN1; SMN2ALDH1A1LTA4HNOS1
SCHEMBL7752472 0.88 GAA (0.66) CYP3A4SMN1; SMN2ALDH1A1MAOBNR1I2
SCHEMBL10606350 0.88 CYP3A4 (0.62) CYP3A4SMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL2088711 0.86 NOS1 (0.52) CYP3A4SMN1; SMN2ALDH1A1LTA4HNOS1
SCHEMBL8956052 0.86 NOS1 (0.52) CYP3A4SMN1; SMN2ALDH1A1LTA4HNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409658-B9 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-07-17 EP disclosed
EP-3409658-B1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-03-06 EP disclosed
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 EP disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
US-10730830-B2 Tetrahydronaphthalene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-08-04 US disclosed
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-01-31 US disclosed
EP-3409658-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2018-12-05 EP disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2005095330-A1 NOVEL DICHLOROPROPENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 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 (5 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT CYP3A4 148/4885SMN1; SMN2 257/4885ALDH1A1 13/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP3A4 1683/4885SMN1; SMN2 3985/4885ALDH1A1 355/4885
US-10730830-B2 Tetrahydronaphthalene derivative S1PR5, S1PR1, GPR55 CYP3A4 1977/4885SMN1; SMN2 937/4885ALDH1A1 1792/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR CYP3A4 1711/4885SMN1; SMN2 4372/4885ALDH1A1 1802/4885
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE S1PR5, S1PR1, GPR55 CYP3A4 1986/4885SMN1; SMN2 945/4885ALDH1A1 1806/4885

“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.