SCHEMBL13237463

SCHEMBL13237463

CCc1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
FDFT1 P37268 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAOB P27338 4/20 0.48
MAPT P10636 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL12603801 0.89 LTA4H (0.52) IDO1L3MBTL1MAPK14MAOBMAPT
SCHEMBL13197414 0.89 MAPK14 (0.50) IDO1FDFT1MAPK14MAOBLTA4H
SCHEMBL14127746 0.87 FDFT1 (0.52) IDO1HTR2AHTR2BHTR2CL3MBTL1
SCHEMBL46757 0.86 HTR2A (0.63) IDO1HTR2AHTR2BHTR2CTAAR1
SCHEMBL20858597 0.85 CYP3A4 (0.48) L3MBTL1FDFT1LMNA
SCHEMBL7934882 0.84 FDFT1 (0.56) IDO1L3MBTL1TAAR1FDFT1LTA4H
SCHEMBL13970685 0.84 IDO1 (0.53) IDO1HTR2AHTR2BHTR2CL3MBTL1
SCHEMBL14094677 0.84 FDFT1 (0.46) IDO1HTR2AHTR2BHTR2CL3MBTL1
Ammonia Solution, Strong SCHEMBL266843 0.84 HTR2A (0.61) IDO1HTR2AHTR2BHTR2CTAAR1
SCHEMBL9488681 0.84 ALDH1A1 (0.50) IDO1L3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (6 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 IDO1 4461/4885HTR2A 1773/4885HTR2B 2447/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 IDO1 4720/4885HTR2A 1262/4885HTR2B 1649/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 IDO1 4720/4885HTR2A 1262/4885HTR2B 1649/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 IDO1 4720/4885HTR2A 1262/4885HTR2B 1649/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 IDO1 4720/4885HTR2A 1262/4885HTR2B 1649/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA IDO1 3389/4885HTR2A 1983/4885HTR2B 1689/4885

“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.