SCHEMBL5777968

SCHEMBL5777968

CCCCSc1cc(OC)cc(F)c1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
PTGS2 P35354 5/20 0.36
PTGES O14684 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACAT1 P24752 1/20 0.34

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
SCHEMBL5774469 0.80 AKR1C3 (0.42) CYP3A4ALDH1A1PRKCZAKR1C3AKR1C2
SCHEMBL5776178 0.77 CCNB2 (0.36) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL23101135 0.73 PRKCZ (0.38) CDK4CDK2MAPTKDM4ECYP3A4
SCHEMBL21872100 0.68 HSD17B10 (0.41) MAPTKDM4ETP53CYP3A4ALDH1A1
SCHEMBL28332265 0.67 AAK1 (0.33) MAPT
SCHEMBL679324 0.66 GAA (0.45) MTNR1AMTNR1B
SCHEMBL13193810 0.65 GABRA1 (0.38) ALDH1A1AKR1C3AKR1C2MTNR1AMTNR1B
SCHEMBL17374952 0.65 CPS1 (0.55) CYP3A4ALDH1A1LMNA
SCHEMBL25304437 0.64 CYP2C9 (0.37) CYP3A4MTNR1AMTNR1B
SCHEMBL679953 0.64 CA1 (0.41) MAPTMTNR1AMTNR1B

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
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
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 CCNB2 3287/4885CCNE2 1253/4885CDK1 3305/4885

“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.