SCHEMBL994405

SCHEMBL994405

CC1(C)CC(=O)C2=C(C1)NC(C1CCCC1)=C(C(=O)c1ccc(C(F)(F)F)cc1)C2c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.49
NOTCH1 P46531 2/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
CETP P11597 11/20 0.43
CCNA2 P20248 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
SCHEMBL14491044 0.91 GSK3A (0.49) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL6476131 0.91 NOTCH1 (0.48) GSK3ANOTCH1GSK3BMEN1KMT2A
SCHEMBL5341468 0.87 KDM4E (0.51) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL8559118 0.84 NOTCH1 (0.45) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL4578818 0.84 CETP (0.44) GSK3ANOTCH1MEN1KMT2ACETP
SCHEMBL713237 0.83 CETP (0.44) GSK3ANOTCH1MEN1KMT2ACETP
SCHEMBL6483147 0.81 KDM4E (0.52) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL970677 0.81 GSK3A (0.49) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL8142340 0.75 KDM4E (0.48) GSK3ANOTCH1KDM4EALDH1A1HPGD
SCHEMBL4579894 0.73 CETP (0.41) CETP

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453544-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-09-08 EP claimed
EP-0818448-B1 Cycloalkano-pyridine as CETP inhibitors BAYER AG (DE) 2003-11-12 EP claimed
EP-1305007-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2003-05-02 EP claimed
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER INC. 2003-01-30 US claimed
WO-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-01-03 WO claimed
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH INC. 2002-08-01 US claimed
WO-2002011710-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2002-02-14 WO claimed
US-6069148-A ANTICHOLESTEROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-30 US claimed
EP-0818448-A1 Cycloalkano-pyridine as CETP inhibitors BAYER AG (DE) 1998-01-14 EP claimed
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2016-12-29 US disclosed
US-9468604-B2 Pharmaceutical compositions of dispersions of drug and neutral polymers BEND RESEARCH, INC. (US) 2016-10-18 US disclosed
EP-2258352-B1 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS BEND RES INC (US) 2015-05-13 EP disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
EP-2305217-B1 Method for the preparation of pharmaceutical compositions comprising a solid amorphous dispersion of cholesteryl ester transfer protein inhibitors BEND RES INC (US) 2014-07-30 EP disclosed
EP-1269994-A2 Pharmaceutical compositions comprising drug and concentration-enhancing polymers Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH INC. 2002-08-01 US disclosed
WO-2002011710-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2002-02-14 WO disclosed
US-6207671-B1 FOR TREATMENT OF HYPERTIPOPROTEINAEMIA, ARTERIOSCLEROSIS DYSLIPIDAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6069148-A ANTICHOLESTEROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
EP-0818448-A1 Cycloalkano-pyridine as CETP inhibitors BAYER AG (DE) 1998-01-14 EP 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 (4 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-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 GSK3A 1939/4885NOTCH1 4733/4885KDM4E 2729/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA GSK3A 3176/4885NOTCH1 3364/4885KDM4E 3183/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 GSK3A 3137/4885NOTCH1 4849/4885KDM4E 3601/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 GSK3A 3137/4885NOTCH1 4849/4885KDM4E 3601/4885

“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.