SCHEMBL744349

SCHEMBL744349

COc1[c]c(F)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
NQO2 P16083 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 4/20 0.35
NFE2L2 Q16236 3/20 0.33
ESR1 P03372 2/20 0.33
CYP3A4 P08684 1/20 0.33
ABL1 P00519 1/20 0.33
TTR P02766 1/20 0.33
ABCB1 P08183 1/20 0.33
ALOX5 P09917 1/20 0.33
BCR P11274 1/20 0.33
CYP19A1 P11511 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
AHR P35869 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
SCHEMBL261556 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1B1NQO2TAAR1
SCHEMBL19724 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A1CYP1B1NQO2CYP1A2
SCHEMBL261996 0.79 NQO2 (0.31) NQO2NFE2L2TUBB4ATUBBTUBA3C
SCHEMBL386286 0.77 ACHE (0.39)
SCHEMBL491166 0.76 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1NQO2TAAR1
SCHEMBL2342604 0.76 AHR (0.33) AHR
SCHEMBL2347097 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1NQO2TAAR1
SCHEMBL15353271 0.76 HSD17B10 (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9444304 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1NQO2TAAR1
SCHEMBL9444407 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371361-C Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions ATOFINA CHEM INC (US) 2008-02-27 CN claimed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
EP-1479737-B1 Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions ARKEMA INC (US) 2006-08-16 EP disclosed
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
CN-1618828-A Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions ATOFINA CHEM INC (US) 2005-05-25 CN disclosed
EP-1479737-A1 Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions Atofina Chemicals, Inc. (US) 2004-11-24 EP disclosed
US-20040138332-A1 Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions ARKEMA INC. 2004-07-15 US disclosed
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US disclosed
CN-1488694-A Polymer for ship coating-composition containing diarye silyl (methye) acroyl ���з��ɻ�ѧ�ɷ����޹�˾ 2004-04-14 CN disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20030225184-A1 Triarylsilyl(meth)acryloyl-containing polymers for marine coating compositions ARKEMA INC. 2003-12-04 US disclosed
EP-1367100-A1 Triarylsilyl (meth) acryloyl-containing polymers for marine coating compositions ATOFINA CHEMICALS, INC. (US) 2003-12-03 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R ALDH1A1 715/4885CYP1A1 366/4885CYP1B1 261/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C ALDH1A1 2442/4885CYP1A1 2976/4885CYP1B1 3434/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 2282/4885CYP1A1 720/4885CYP1B1 558/4885
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R ALDH1A1 942/4885CYP1A1 773/4885CYP1B1 725/4885

“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.