SCHEMBL4095540

SCHEMBL4095540

OCc1ccc(OCCCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL17478267 0.94 HRH3 (0.53) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL4156433 0.91 HRH3 (0.50) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL16902877 0.89 HRH3 (0.59) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL8545935 0.89 HRH3 (0.59) HRH3LTA4HCYSLTR1GAACYP2D6
SCHEMBL16902868 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL8369936 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL16902874 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL16902880 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL16902883 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A
SCHEMBL16902872 0.86 HRH3 (0.58) HRH3LTA4HALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
US-8815934-B2 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH LLC (US) 2014-08-26 US disclosed
EP-0802183-B1 Estrogenic agents AMERICAN HOME PROD (US) 2001-10-10 EP disclosed
US-6291451-B1 USEFUL IN THE TREATMENT OR INHIBITION OF BREAST CANCER. AMERICAN HOME PRODUCTS CORPORATION 2001-09-18 US disclosed
US-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents WYETH 2001-09-13 US disclosed
US-6232307-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US disclosed
US-6225308-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS WHICH ARE USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-01 US 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-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-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
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 (3 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-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents ESR1, ESR2, GPER1 HRH3 2269/4885LTA4H 1134/4885ALDH1A1 468/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 HRH3 2260/4885LTA4H 1507/4885ALDH1A1 1112/4885
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.