SCHEMBL1357237

SCHEMBL1357237

[O]C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SRD5A2 P31213 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
SCN4A P35499 2/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10816359 0.76 LTA4H (0.45) SLC6A4LTA4HTSHRL3MBTL1SRC
SCHEMBL3485914 0.75 SLC6A4 (0.41) SLC6A4SRD5A2CES2CES1LTA4H
SCHEMBL9859672 0.74 SRD5A2 (0.57) SLC6A4SRD5A2LTA4HTSHRSCN4A
SCHEMBL28636911 0.74 SLC6A4 (0.44) SLC6A4SRD5A2LTA4HTSHRSCN4A
SCHEMBL7564026 0.74 SLC6A4 (0.44) SLC6A4SRD5A2LTA4HTSHRSCN4A
SCHEMBL9654028 0.73 SLC6A2 (0.46) SLC6A4ADRA2AADRA2BADRA2CMEN1
SCHEMBL57754 0.72 MTNR1A (0.46) LTA4HTSHRADRA2AADRA2BADRA2C
SCHEMBL83160 0.72 KMT2A (0.46) CES2CES1TSHRCYP2D6SRC
SCHEMBL4022188 0.72 CES2 (0.46) CES2CES1L3MBTL1CYP2D6SRC
SCHEMBL10611867 0.72 LTA4H (0.41) SLC6A4LTA4HTSHRL3MBTL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150219676-A1 BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL VERSITECH LIMITED (CN) 2015-08-06 US claimed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US claimed
EP-2202222-A2 Indene derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-30 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
EP-1960343-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-08-27 EP claimed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 WO claimed
EP-1699779-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005061484-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-5859020-A INSECTICIDES, MITICIDES, FUNGICIDES, NEMATOCIDES HOECHST SCHERING AGREVO GMBH (DE) 1999-01-12 US claimed
US-4810717-A ADRENERGIC BLOCKING AGENTS, GLAUCOMA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US claimed
EP-0179807-A4 STABLE PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING BETA-ADRENERGIC RECEPTOR BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1987-10-27 EP claimed
EP-0179807-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING BETA-ADRENERGIC RECEPTOR BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-05-07 EP claimed
US-4582855-A Aromatic and esters of hydroxypropylamines AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-04-15 US claimed
WO-1985004581-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF SHORT-ACTING BETA-ADRENERGIC RECEPTOR BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-10-24 WO claimed
EP-0093765-A4 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-04-27 EP claimed
EP-0093765-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-16 EP claimed
WO-1983001770-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO claimed
US-4201780-A Mono-5-substituted-3-chloro-4H-1,2,6-thiadiazin-4-one antifungal agents FMC CORPORATION (US) 1980-05-06 US 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 (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-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 SLC6A4 14/4885SRD5A2 3016/4885CES2 301/4885
US-20150219676-A1 BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL SQOR, MT-ND4, COX6A1 SLC6A4 706/4885SRD5A2 1833/4885CES2 1683/4885
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A SLC6A4 54/4885SRD5A2 714/4885CES2 1590/4885

“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.