SCHEMBL5466716

SCHEMBL5466716

CC(C)C(=O)/C(=C/c1ccncc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
TBXAS1 P24557 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL5466722 1.00 TP53 (0.41) TP53CYP19A1CYP11B2HTTCYP1A2
SCHEMBL2856643 0.84 HTT (0.56) TP53HTTCYP3A4CYP2C9ALDH1A1
SCHEMBL2856641 0.84 HTT (0.56) TP53HTTCYP3A4CYP2C9ALDH1A1
SCHEMBL7686175 0.83 TP53 (0.55) TP53CYP19A1CYP11B2HTTCYP1A2
SCHEMBL5468470 0.81 ALDH1A1 (0.51) CYP19A1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL5468466 0.81 ALDH1A1 (0.51) CYP19A1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL11386933 0.80 ALDH1A1 (0.52) TP53CYP19A1CYP11B2HTTCYP1A2
SCHEMBL5464816 0.79 TAAR1 (0.46) HTTKDM4ENFKB1ALDH1A1POLB
SCHEMBL5464812 0.79 TAAR1 (0.46) HTTKDM4ENFKB1ALDH1A1POLB
SCHEMBL2647713 0.79 MEN1 (0.49) TP53HTTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-06-28 US disclosed
EP-1643988-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2006-04-12 EP disclosed
WO-2004105752-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 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 (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-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors HMGCR, CYP46A1, GRHPR TP53 3965/4885CYP19A1 208/4885CYP11B2 22/4885

“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.