SCHEMBL5156728

SCHEMBL5156728

CCCCC(C(=O)O)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
SRC P12931 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
ALOX5 P09917 3/20 0.39
PTGES O14684 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM1 Q13255 2/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 2/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10999528 0.94 PDE5A (0.45) PDE5ASRCMEN1KMT2AALDH1A1
SCHEMBL6207353 0.90 SRC (0.46) SRCMEN1KMT2AGRM1CACNA2D1
SCHEMBL5156708 0.88 PDE5A (0.44) PDE5ASRCPPARGPPARAALOX5
SCHEMBL510474 0.83 SRC (0.44) SRCMEN1KMT2AALDH1A1MAPK1
SCHEMBL10976123 0.81 CNR2 (0.42) PPARGPPARAALOX5PTGESMEN1
SCHEMBL11290731 0.80 GRM1 (0.52) MEN1KMT2AGRM1CYP1A2TDP1
SCHEMBL3382824 0.79 SRC (0.43) SRCMEN1KMT2AMAPK1GRM1
SCHEMBL6055394 0.78 PDE5A (0.46) PDE5ASRCTDP1SMN1; SMN2
SCHEMBL6207758 0.78 SRC (0.42) PDE5ASRCMEN1KMT2AL3MBTL1
SCHEMBL10896682 0.77 POLB (0.49) PPARGPPARAALOX5PTGESMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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 (1 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 PDE5A 1576/4885SRC 3350/4885PPARG 4665/4885

“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.