Sugi Predict

Sugi Predict / Compounds / SCHEMBL129592

SCHEMBL129592

SCHEMBL129592

CCc1cccc(C(C)(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.46
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ CETP P11597 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ ACP3 P15309 1/20 0.38

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
SCHEMBL18802729 0.87 TAAR1 (0.46) KIF11CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL548707 0.87 CYP1A2 (0.42) CYP1A2CYP2C19CYP4F2CYP4A11CETP
SCHEMBL2636462 0.85 PDK1 (0.44) CYP1A2CYP2C19CYP4F2CYP4A11CETP
SCHEMBL547595 0.84 IDH1 (0.40) KIF11CYP1A2CYP2C19MEN1KMT2A
SCHEMBL23501574 0.83 CYP1A2 (0.44) CYP1A2CYP2C19CYP4F2CYP4A11CETP
SCHEMBL18802813 0.83 TAAR1 (0.43) TP53CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL129591 0.83 CYP1A2 (0.40) CYP1A2CYP2C19MEN1KMT2ACYP4F2
SCHEMBL1908518 0.83 ENPP2 (0.50) KIF11CYP1A2CYP2C19CYP4F2CYP4A11
SCHEMBL13316137 0.83 CYP4F2 (0.42) CYP1A2CYP2C19CYP4F2CYP4A11CETP
SCHEMBL18481465 0.83 CYP1A2 (0.41) CYP1A2CYP2C19CYP4F2CYP4A11CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 — — US disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 — — WO disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 — — US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 — — EP disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
EP-1751091-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES Elan Pharmaceuticals, Inc. (US) 2007-02-14 — — EP disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 — — US disclosed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 — — CN disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 — — EP disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 — — US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 — — US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 — — 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 (6 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP KIF11 4717/4885TP53 2892/4885CYP1A2 1839/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 KIF11 4650/4885TP53 3802/4885CYP1A2 606/4885
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KIF11 4549/4885TP53 1938/4885CYP1A2 2107/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KIF11 4763/4885TP53 3124/4885CYP1A2 2267/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 KIF11 3687/4885TP53 4431/4885CYP1A2 1665/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 KIF11 4739/4885TP53 2426/4885CYP1A2 2630/4885

“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.