SCHEMBL186944

SCHEMBL186944

C#CC(C)(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
HSD11B1 P28845 2/20 0.41
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 3/20 0.38
KCNN4 O15554 5/20 0.38
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL11481152 0.94 CYP17A1 (0.39) RAB9AUSP2HSD11B1KMT2AHTT
SCHEMBL11481020 0.89 MMP1 (0.40) RAB9AUSP2HSD11B1KMT2AHTT
SCHEMBL11492430 0.89 CYP17A1 (0.36) RAB9AUSP2HSD11B1KMT2AHTT
SCHEMBL11492439 0.89 CYP17A1 (0.36) RAB9AUSP2HSD11B1KMT2AHTT
SCHEMBL17210661 0.89 MEN1 (0.39) KMT2AMEN1CYP3A4LMNA
SCHEMBL11480675 0.81 RXRA (0.35) RAB9ANPC1CYP3A4CYP17A1
SCHEMBL15763664 0.80 TSHR (0.48) RAB9AKMT2AHTTMEN1NPC1
SCHEMBL11480081 0.80 APP (0.43) RAB9AUSP2HSD11B1KMT2AMEN1
SCHEMBL11590402 0.80 NPC1 (0.40) RAB9AHSD11B1NPC1
SCHEMBL4271577 0.78 KMT2A (0.58) RAB9AKMT2AHTTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943722-B1 PROTECTIVE COATING FOR LED LAMP CREE INC (US) 2019-08-28 EP disclosed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 EP disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 EP disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 WO disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US disclosed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 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 (7 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C RAB9A 3993/4885USP2 2332/4885HSD11B1 797/4885
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A RAB9A 3287/4885USP2 379/4885HSD11B1 1895/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C RAB9A 3993/4885USP2 2332/4885HSD11B1 797/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A RAB9A 3287/4885USP2 379/4885HSD11B1 1895/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR RAB9A 3377/4885USP2 2639/4885HSD11B1 163/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A RAB9A 3287/4885USP2 379/4885HSD11B1 1895/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A RAB9A 3287/4885USP2 379/4885HSD11B1 1895/4885

“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.