SCHEMBL4156433

SCHEMBL4156433

OCc1ccc(OCCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NR1I2 O75469 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4095540 0.91 HRH3 (0.54) HRH3LTA4HALDH1A1RECQLCYSLTR1
SCHEMBL17478267 0.89 HRH3 (0.53) HRH3LTA4HALDH1A1CYSLTR1MEN1
SCHEMBL11649743 0.86 HRH3 (0.56) HRH3LTA4HALDH1A1RECQLCYSLTR1
SCHEMBL16902877 0.84 HRH3 (0.59) HRH3LTA4HALDH1A1RECQLCYSLTR1
SCHEMBL8545935 0.84 HRH3 (0.59) HRH3LTA4HCYSLTR1CYP2D6ACHE
SCHEMBL5636691 0.83 KCNA3 (0.46) LTA4HALDH1A1RECQL
SCHEMBL16902880 0.82 HRH3 (0.58) HRH3LTA4HALDH1A1CYSLTR1MEN1
SCHEMBL16902868 0.82 HRH3 (0.58) HRH3LTA4HALDH1A1CYSLTR1MEN1
SCHEMBL16902883 0.82 HRH3 (0.58) HRH3LTA4HALDH1A1CYSLTR1MEN1
SCHEMBL8369936 0.82 HRH3 (0.58) HRH3LTA4HALDH1A1CYSLTR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018202681-A1 USE OF DISUBSTITUTED BENZENES TO CONTROL INSECTICIDE-RESISTANT PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 WO disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
EP-1076558-A1 2-PHENYL-1-[-(2-AMINOETHOXY)-BENZYL -INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
US-6159959-A Combined estrogen and antiestrogen therapy AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-12 US disclosed
US-6127404-A 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)INDOLE COMPOUNDS USEFUL AS ESTROGEN AGONISTS/ANTAGONISTS; OSTEOPOROSIS; ANTICHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6107292-A HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-22 US disclosed
US-6069153-A HORMONE REPLACEMENT THERPAY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-30 US disclosed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US disclosed
WO-1999059581-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
WO-1999058524-A1 BENZOCARBAZOLE AND INDENOINDOLE DERIVED ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
CN-1170719-A Estrogenic agents AMERICAN HOME PROD (US) 1998-01-21 CN disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 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-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR HRH3 999/4885LTA4H 1668/4885ALDH1A1 47/4885

“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.