SCHEMBL632554

SCHEMBL632554

CC(CN)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.60
ESR1 P03372 4/20 0.59
ESR2 Q92731 3/20 0.59
HTR3A P46098 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58
ALOX15 P16050 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
APEX1 P27695 1/20 0.56
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
MIF P14174 1/20 0.50
SLC6A2 P23975 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
Bromide SCHEMBL9765277 0.98 TAAR1 (0.58) TAAR1ESR1ESR2HTR3ATSHR
SCHEMBL3006604 0.87 TAAR1 (0.75) TAAR1ESR1ESR2HTR3ATSHR
Hydrochloric Acid SCHEMBL6564727 0.85 TAAR1 (0.71) TAAR1ESR1ESR2HTR3ATSHR
SCHEMBL11464625 0.82 ESR1 (0.55) TAAR1ESR1ESR2HTR3ATSHR
SCHEMBL6341136 0.80 ESR1 (0.64) TAAR1ESR1ESR2HTR3ATSHR
Bromide SCHEMBL11287353 0.78 CYP2C9 (0.44) TAAR1ESR1ESR2HTR3ATSHR
SCHEMBL548248 0.78 ESR1 (0.61) TAAR1ESR1ESR2HTR3ATSHR
SCHEMBL19245695 0.78 ESR1 (0.62) ESR1ESR2TSHRALOX15TDP1
SCHEMBL20765447 0.78 ESR1 (0.62) ESR1ESR2TSHRALOX15TDP1
SCHEMBL85692 0.78 ESR1 (0.62) ESR1ESR2TSHRALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
WO-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
US-20210206727-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS UNIV OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2021-07-08 US disclosed
CN-106995410-B Lactam derivative and application thereof 江苏恩华药业股份有限公司 2021-03-02 CN disclosed
US-10766866-B2 Deterrents for arthropods and marine organisms UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2020-09-08 US disclosed
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH 2019-09-26 US disclosed
CN-106995410-A A kind of lactam derivative and its application 江苏恩华药业股份有限公司 2017-08-01 CN disclosed
WO-2013147286-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2013-10-03 WO disclosed
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 WO disclosed
EP-0253340-B1 ALKYL-SUBSTITUTED BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIBACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
US-4859661-A Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
US-4843160-A Preparation of alpha-aminoalkylphenols THE DOW CHEMICAL COMPANY (US) 1989-06-27 US disclosed
EP-0253340-A1 Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-20 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 (4 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-10766866-B2 Deterrents for arthropods and marine organisms ALG1, NISCH, ALG8 TAAR1 351/4885ESR1 4132/4885ESR2 3900/4885
US-20210206727-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS ALG1, ALG8, DDT TAAR1 333/4885ESR1 4105/4885ESR2 3914/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 TAAR1 4825/4885ESR1 4124/4885ESR2 4283/4885
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS ALG1, NISCH, ALG8 TAAR1 351/4885ESR1 4132/4885ESR2 3900/4885

“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.