SCHEMBL4492259

SCHEMBL4492259

CCC=CCCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
ALDH1A1 P00352 7/20 0.36
LMNA P02545 3/20 0.36
CYP19A1 P11511 4/20 0.34
PPARG P37231 3/20 0.34
OXER1 Q8TDS5 3/20 0.34
MAPT P10636 3/20 0.34
RXRA P19793 2/20 0.34
FFAR1 O14842 2/20 0.34
DGKA P23743 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
FAAH O00519 2/20 0.33
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
PPARA Q07869 3/20 0.32
PTGS1 P23219 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARD Q03181 2/20 0.32

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
SCHEMBL4492254 1.00 THRB (0.42) THRBALDH1A1LMNACYP19A1PPARG
SCHEMBL7122442 1.00 THRB (0.42) THRBALDH1A1LMNACYP19A1PPARG
SCHEMBL4492262 1.00 THRB (0.42) THRBALDH1A1LMNACYP19A1PPARG
SCHEMBL16415992 0.87 ALDH1A1 (0.38) ALDH1A1LMNACYP19A1PPARGOXER1
SCHEMBL16418357 0.87 ALDH1A1 (0.38) ALDH1A1LMNACYP19A1PPARGOXER1
SCHEMBL16415993 0.87 ALDH1A1 (0.38) ALDH1A1LMNACYP19A1PPARGOXER1
SCHEMBL7116185 0.86 DGKA (0.39) THRBALDH1A1LMNACYP19A1PPARG
SCHEMBL7116188 0.86 DGKA (0.39) THRBALDH1A1LMNACYP19A1PPARG
SCHEMBL318337 0.86 THRB (0.39) THRBALDH1A1LMNAFAAHPPARA
SCHEMBL3924242 0.83 ALDH1A1 (0.35) ALDH1A1LMNACYP19A1PPARGOXER1

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-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
EP-1831178-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US disclosed
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 THRB 3718/4885ALDH1A1 794/4885LMNA 2680/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 THRB 3718/4885ALDH1A1 794/4885LMNA 2680/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 THRB 3718/4885ALDH1A1 794/4885LMNA 2680/4885

“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.