SCHEMBL4744480

SCHEMBL4744480

CCOC(=O)c1ccccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPT P10636 3/20 0.50
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
MEN1 O00255 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ERN1 O75460 1/20 0.48
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL10644872 0.87 TSHR (0.56) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL13648559 0.85 PDK2 (0.47) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL15080878 0.85 MAPT (0.52) TSHRMAPTMEN1CYP2C9CYP2C19
SCHEMBL27686802 0.84 TSHR (0.65) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL3230316 0.84 TSHR (0.65) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL29500171 0.84 TSHR (0.65) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL396552 0.84 TSHR (0.69) TSHRMAPTSCN1ASCN2ASCN3A
SCHEMBL29015142 0.83 MAOB (0.47) TSHRMAPTMEN1CYP2C9CYP2C19
SCHEMBL29864809 0.83 MAOB (0.47) TSHRMAPTMEN1CYP2C9CYP2C19
SCHEMBL23354290 0.83 SLC6A3 (0.67) TSHRMAPTCYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 (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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 TSHR 1621/4885MAPT 2403/4885SCN1A 1796/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN TSHR 1034/4885MAPT 3136/4885SCN1A 2463/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 TSHR 113/4885MAPT 3215/4885SCN1A 3328/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 TSHR 113/4885MAPT 3215/4885SCN1A 3328/4885

“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.