SCHEMBL148275

SCHEMBL148275

CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
CES2 O00748 1/20 0.41
TACR1 P25103 4/20 0.41
DAO P14920 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL26074528 0.95 IDO1 (0.46) IDO1CES2TACR1DAOHTR2A
SCHEMBL10086983 0.91 IDO1 (0.45) IDO1CES2TACR1DAOHTR2A
SCHEMBL15077168 0.91 IDO1 (0.45) IDO1CES2TACR1DAOHTR2A
SCHEMBL1538724 0.89 IDO1 (0.44) IDO1CES2TACR1DAOHTR2A
SCHEMBL799008 0.86 IDO1 (0.41) IDO1DAOHTR2AHTR2BHTR2C
SCHEMBL11967044 0.86 IDO1 (0.41) IDO1TACR1DAOHTR2AHTR2B
SCHEMBL171940 0.86 IDO1 (0.41) IDO1TACR1HTR2AHTR2BHTR2C
SCHEMBL24470472 0.84 IDO1 (0.39) IDO1TACR1DAOHTR2AHTR2B
SCHEMBL17922773 0.84 IDO1 (0.39) IDO1TACR1DAOHTR2AHTR2B
SCHEMBL20143842 0.84 IDO1 (0.39) IDO1DAOHTR2AHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-8188290-B2 Reacting secondary amine, carbon dioxide, triarylsilyl chloride and halogenation agent GLAXO GROUP LIMITED (GB) 2012-05-29 US claimed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US claimed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP claimed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US claimed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US claimed
US-6008223-A ANTIINFLAMMATORY AGENTS FOR TREATING ASTHMA ZENECA LIMITED (GB) 1999-12-28 US claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 US claimed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 EP claimed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US disclosed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (5 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-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 IDO1 2340/4885CES2 1235/4885TACR1 4031/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC IDO1 73/4885CES2 2851/4885TACR1 913/4885
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 IDO1 2793/4885CES2 766/4885TACR1 1018/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR IDO1 32/4885CES2 483/4885TACR1 1980/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR IDO1 3846/4885CES2 3825/4885TACR1 205/4885

“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.