SCHEMBL1929977

SCHEMBL1929977

CCCCC[C](CCCCC)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.46
CES1 P23141 5/20 0.46
AKR1B1 P15121 1/20 0.43
FAAH O00519 2/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6857754 0.97 CES2 (0.48) CES2CES1FAAHGPR84PPARG
SCHEMBL7057112 0.97 CES2 (0.48) CES2CES1FAAHGPR84PPARG
SCHEMBL5704388 0.89 CES2 (0.42) CES2CES1AKR1B1FAAHGPR84
SCHEMBL7057813 0.87 CES1 (0.44) CES2CES1FAAHGPR84PPARG
SCHEMBL15158037 0.87 CES1 (0.44) CES2CES1FAAHGPR84PPARG
SCHEMBL9782912 0.86 CES1 (0.40) CES2CES1AKR1B1FAAHTSHR
SCHEMBL10457444 0.78 CES2 (0.37) CES2CES1TSHRALDH1A1
SCHEMBL19895687 0.77 CES2 (0.46) CES2CES1AKR1B1FAAHGPR84
SCHEMBL19326566 0.76 CES2 (0.40) CES2CES1AKR1B1FAAHGPR84
SCHEMBL3802950 0.74 FAAH (0.58) CES2CES1AKR1B1FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820460-A1 METHODS FOR REVERSING HIV LATENCY USING BAF COMPLEX MODULATING COMPOUNDS The Board of Trustees of the Leland Stanford Junior University (US) 2021-05-19 EP disclosed
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-20060194755-A1 Compositions and methods for regulating an immune response in a subject INNATE PHARMA, S.A.S. (FR) 2006-08-31 US disclosed
US-20060115681-A1 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2006-06-01 US disclosed
EP-0532642-A4 1994-04-27 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 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-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity HTR1A, TPH1, HTR1D CES2 3796/4885CES1 3066/4885AKR1B1 717/4885
US-20060194755-A1 Compositions and methods for regulating an immune response in a subject IFNG, IL2, ICOS CES2 4083/4885CES1 3478/4885AKR1B1 3849/4885

“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.