SCHEMBL5796055

SCHEMBL5796055

OC1(c2ccccc2)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.50
BRD4 O60885 1/20 0.49
KDM1A O60341 3/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 3/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAP3K14 Q99558 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PGR P06401 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL19130584 1.00 HDAC9 (0.50) HDAC9BRD4KDM1AMAOBCYP3A4
SCHEMBL6316631 0.90 PGR (0.47) HDAC9BRD4KDM1ACYP3A4CYP17A1
SCHEMBL9906167 0.89 KDM1A (0.49) HDAC9BRD4KDM1APGRTSHR
SCHEMBL7885283 0.87 BRD4 (0.40) HDAC9BRD4KDM1AMAOBCYP3A4
SCHEMBL5871752 0.85 CYP3A4 (0.57) HDAC9BRD4KDM1AMAOBCYP3A4
SCHEMBL28076879 0.81 CYP3A4 (0.56) CYP3A4SIGMAR1
SCHEMBL3053835 0.80 KDM1A (0.43) HDAC9KDM1AMAOBHCAR2TSHR
SCHEMBL8865954 0.79 BRD4 (0.38) HDAC9BRD4KDM1AMAOBCYP3A4
SCHEMBL8865370 0.78 OPRM1 (0.49) KDM1ACYP3A4ALDH1A1SIGMAR1
SCHEMBL19130585 0.77 KDM1A (0.41) HDAC9BRD4KDM1AMAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104869845-B Blistering auxiliary agent and its production method 雀巢产品技术援助有限公司 2018-04-20 CN claimed
US-5576139-A EXCELLENT RESOLUTION, SENSITIVITY, HEAT RESISTANCE AND DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-11-19 US claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US disclosed
EP-3148978-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOL AND CHIRAL AMINE UNIVERSITY COLLEGE DUBLIN (IE) 2017-04-05 EP disclosed
CN-105130758-A Method for preparing bisphenol A by adopting combined process of suspension crystallization and falling film crystallization NANTONG XINGCHEN SYNTHETIC MATERIAL CO LTD 2015-12-09 CN disclosed
WO-2015181182-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOL AND CHIRAL AMINE UNIVERSITY COLLEGE DUBLIN (IE) 2015-12-03 WO disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
WO-2000044810-A1 METHOD FOR PREPARING COPOLYCARBONATES OF ENHANCED CRYSTALLINITY GENERAL ELECTRIC COMPANY (US) 2000-08-03 WO disclosed
US-6060576-A Method for preparing copolycarbonates of enhanced crystallinity GENERAL ELECTRIC COMPANY (US) 2000-05-09 US disclosed
EP-0946574-A1 3-ARYL SUBSTITUTED INDENYL CONTAINING METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-10-06 EP disclosed
US-5959047-A AN AROMATIC COMPLEX OF TITANIUM OR ZIRCONIUM OR HAFNIUM USED FOR POLYMERIZATION OF OLEFIN; THE DOW CHEMICAL COMPANY (US) 1999-09-28 US disclosed
US-5866704-A 3-aryl substituted indenyl containing metal complexes and polymerization process THE DOW CHEMICAL COMPANY (US) 1999-02-02 US disclosed
US-5780659-A ADDITION POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1998-07-14 US disclosed
WO-1998027102-A1 3-ARYL SUBSTITUTED INDENYL CONTAINING METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-06-25 WO disclosed
EP-0798306-A1 Substituted indenyl unbridged metallocenes PHILLIPS PETROLEUM COMPANY (US) 1997-10-01 EP disclosed
US-5576139-A EXCELLENT RESOLUTION, SENSITIVITY, HEAT RESISTANCE AND DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-11-19 US 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-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines ADH1C, ADH1A, ADH5 HDAC9 4177/4885BRD4 3427/4885KDM1A 2595/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 HDAC9 4122/4885BRD4 3517/4885KDM1A 2341/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA HDAC9 1090/4885BRD4 2408/4885KDM1A 3189/4885

“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.