SCHEMBL4781920

SCHEMBL4781920

C=C(Oc1cccc(C(F)(F)F)c1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.49
XPO1 O14980 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
FAAH O00519 2/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
GAA P10253 4/20 0.46
ALOX12 P18054 2/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL11267476 0.85 MAPT (0.49) ATMFAAHPRSS1ACRGAA
SCHEMBL15462957 0.83 ATM (0.53) ATMALDH1A1HPGDFAAHPRSS1
SCHEMBL28955998 0.81 LMNA (0.56) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL28859166 0.81 ALDH1A1 (0.51) ALDH1A1HPGDPRSS1ACRMAPT
SCHEMBL15836532 0.79 ATM (0.48) ATMFAAHPRSS1ACRMAPT
SCHEMBL7430068 0.78 L3MBTL1 (0.51) XPO1ALDH1A1FAAHGAAKDM4E
SCHEMBL134190 0.78 MAPT (0.56) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11860150 0.77 PRSS1 (0.55) ATMFAAHPRSS1ACRMAPT
SCHEMBL1043811 0.77 FAAH (0.48) ATMALDH1A1HPGDFAAHPRSS1
SCHEMBL9575170 0.77 PRSS1 (0.49) ATMFAAHPRSS1ACRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 ATM 1571/4885XPO1 236/4885ALDH1A1 1210/4885

“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.