SCHEMBL5774070

SCHEMBL5774070

COc1cc(F)c(C#N)c(OC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GBA1 P04062 1/20 0.36
HPGD P15428 1/20 0.36
EGFR P00533 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.34
GRM2 Q14416 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
VEGFA P15692 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL186585 0.80 TRPV4 (0.52) ALDH1A1KDM4EGBA1HPGDCYP11B1
SCHEMBL31371865 0.79 TRPV4 (0.36) EGFRCYP11B1CYP11B2TRPV4DHODH
SCHEMBL18305787 0.79 TRPV4 (0.36) ALDH1A1KDM4EEGFRCYP11B1CYP11B2
SCHEMBL21596828 0.77 TRPV4 (0.35) ALDH1A1KDM4EGBA1HPGDTRPV4
SCHEMBL5774667 0.77 TRPV4 (0.37) ALDH1A1MAOBKDM4EGBA1HPGD
SCHEMBL6946098 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EGBA1HPGDTAAR1
SCHEMBL22817442 0.75 CYP4F2 (0.35) KDM4ECYP11B1CYP11B2TRPV4GRM2
SCHEMBL5771980 0.75 SQOR (0.38) ALDH1A1KDM4EGBA1HPGDEGFR
SCHEMBL27867047 0.75 ALDH1A1 (0.42) ALDH1A1MAOBKDM4EHPGDEGFR
SCHEMBL31372064 0.75 LMNA (0.40) ALDH1A1KDM4EHPGDCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 ALDH1A1 1113/4885MAOB 1010/4885KDM4E 2413/4885

“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.