SCHEMBL4473752

SCHEMBL4473752

Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TBXA2R P21731 9/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HSPB1 P04792 1/20 0.43
PDE7A Q13946 1/20 0.42
SRD5A2 P31213 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
SCHEMBL4466094 0.87 ALDH1A1 (0.50) ALDH1A1TBXA2RNPSR1MAPTKMT2A
SCHEMBL8724177 0.83 SRD5A2 (0.61) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL2616111 0.80 MAPK1 (0.56) ALDH1A1NR1H4MAPTKMT2AMEN1
SCHEMBL4466049 0.80 CA12 (0.42) ALDH1A1HPGDNPSR1NR1H4KMT2A
SCHEMBL10629949 0.80 ALDH1A1 (0.48) ALDH1A1TBXA2RHPGDMAPTKMT2A
SCHEMBL22966218 0.79 ALDH1A1 (0.52) ALDH1A1TBXA2RHPGDNPSR1MAPT
SCHEMBL4235361 0.79 ALDH1A1 (0.51) ALDH1A1TBXA2RMAPTKMT2AMEN1
SCHEMBL22966227 0.79 ALDH1A1 (0.54) ALDH1A1TBXA2RMAPTKMT2AMEN1
SCHEMBL10771835 0.78 HSPB1 (0.51) ALDH1A1TBXA2RNPSR1MAPTKMT2A
SCHEMBL5592550 0.78 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKMT2AMEN1

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-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY ALDH1A1 237/4885TBXA2R 1889/4885HPGD 426/4885

“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.