SCHEMBL1168258

SCHEMBL1168258

Cc1ccc(C(N)c2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
ESR1 P03372 6/20 0.48
ESR2 Q92731 6/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ALOX15 P16050 3/20 0.43
SLC6A2 P23975 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL926425 0.87 ESR1 (0.52) ESR1ESR2PDCD1CD274ALOX15
SCHEMBL517129 0.87 ACHE (0.50) ACHETDP1LMNACYP1A2TAAR1
P-Cresol SCHEMBL5954689 0.82 ACHE (0.72) ACHEESR1ESR2PDCD1CD274
SCHEMBL36600 0.80 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL20763933 0.80 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL13695140 0.80 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL735987 0.80 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
P-Cresol SCHEMBL1127979 0.79 ACHE (0.87) ACHEESR1ESR2ALOX15TDP1
P-Cresol SCHEMBL960690 0.79 ACHE (1.00) ACHEESR1ESR2PDCD1CD274
P-Cresol SCHEMBL9726112 0.79 ACHE (1.00) ACHEESR1ESR2PDCD1CD274

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711033-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2020-07-14 US disclosed
CN-107245059-B The method that heterogeneous catalytic oxidation prepares benzoxazoles compound 中国科学院兰州化学物理研究所苏州研究院 2019-07-12 CN disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
WO-2015112438-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-07-30 WO disclosed
EP-2443127-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS Board of Regents, The University of Texas System (US) 2012-04-25 EP disclosed
WO-2011143323-A2 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2011-11-17 WO disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 US disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 US disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 US disclosed
WO-2010148191-A2 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-23 WO 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 (2 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-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS PAICS, DCXR, PFAS ACHE 717/4885ESR1 4863/4885ESR2 4661/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 ACHE 2288/4885ESR1 3642/4885ESR2 3327/4885

“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.