SCHEMBL95799

SCHEMBL95799

CCCC[C]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
DNM1 Q05193 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL95929 0.93 LTA4H (0.42) LTA4HDNM1MLNRNR1I2ESR1
SCHEMBL7194368 0.91 DNM1 (0.44) LTA4HDNM1MLNRNR1I2ESR1
SCHEMBL4732470 0.91 DNM1 (0.44) LTA4HDNM1MLNRNR1I2ESR1
SCHEMBL98189 0.85 APP (0.41) LTA4HDRD2HTR2ADRD3APP
SCHEMBL614578 0.77 CYP1A2 (0.50) HTR2AKCNH2HRH3APPSMN1; SMN2
Hydrochloric Acid SCHEMBL31144511 0.76 BLM (0.52) HTR2AKCNH2HRH3APPSMN1; SMN2
SCHEMBL5089564 0.74 NPSR1 (0.47) HTR2AKCNH2HRH3APPSMN1; SMN2
Phenylacetylene SCHEMBL1983361 0.74 DRD2 (0.40) LTA4HDRD2MAOAPCSK9MEN1
SCHEMBL96978 0.74
SCHEMBL15283973 0.73 KCNH2 (0.42) LTA4HHTR2AKCNH2APPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55148781-A None JP disclosed
CN-105829370-B Rubber composition and vehicle tyre 大陆轮胎德国有限公司 2018-02-16 CN disclosed
EP-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
CN-102844273-B Ion-conductive organic-inorganic composite particle, particle-containing resin composition, and ion-conductive molded article NITTO DENKO CORP. (JP) 2016-03-02 CN disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
EP-2883113-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882818-A1 STABILIZER AND COATING COMPOSITIONS THEREOF Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882792-A1 POLYCARBONATES Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882658-A1 CONTAINER COATING SYSTEM Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 WO disclosed
EP-0641781-B1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 2000-07-26 EP disclosed
US-5478838-A Treating hypertension, angina pectoris, asthma, improving peripheral circulation YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0641781-A1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
US-4329350-A VASODILATORS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-05-11 US disclosed
JP-S55148781-A OXIDATION OF PARA-TERTIARY BUTYLTOLUENE SODA KORYO KK 1980-11-19 JP 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-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 LTA4H 4835/4885DNM1 1318/4885MLNR 826/4885

“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.