SCHEMBL690501

SCHEMBL690501

O=C(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.54
STS P08842 3/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
HDAC8 Q9BY41 1/20 0.49
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.48
MAOB P27338 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 1/20 0.46
VNN1 O95497 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL22954042 0.95 KAT6A (0.57) KAT6ASTSTAS1R3TAS1R1TAS1R2
SCHEMBL30668192 0.95 KAT6A (0.57) KAT6ASTSTAS1R3TAS1R1TAS1R2
SCHEMBL14297682 0.90 ELANE (0.49) KAT6ASTSTAS1R3TAS1R1TAS1R2
SCHEMBL496275 0.87 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL28208860 0.87 KAT6A (0.52) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL10561497 0.87 KAT6A (0.52) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL29459930 0.87 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL8871614 0.86 KAT6A (0.44) KAT6ASTSTAS1R3TAS1R1TAS1R2
SCHEMBL2095288 0.85 KAT6A (0.51) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL30117137 0.85 KAT6A (0.51) KAT6ATAS1R3TAS1R1TAS1R2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN claimed
CN-102149379-A Methods of modulating hepatocyte growth factor (scatter factor) activity and small molecule modulator compositions of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP 2011-08-10 CN claimed
CN-110290809-A Pharmaceutical dosage form comprising TASK-1 and TASK-3 channel inhibitor and its purposes for treating respiratory disorder 拜耳制药股份公司 2019-09-27 CN disclosed
CN-110114091-A Pharmaceutical dosage form comprising TASK-1 and TASK-3 channel inhibitor and its purposes for treating respiratory disorder 拜耳制药股份公司 2019-08-09 CN disclosed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN disclosed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
CN-105008361-A Diazepine derivatives useful as calcium channel blockers in the treatment of pain ABBVIE INC 2015-10-28 CN disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2008070496-A2 N- ( (3-BENZYL) -2, 2- (BIS-PHENYL) -PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-12 WO disclosed
WO-2008070496-A2 N- ( (3-BENZYL) -2, 2- (BIS-PHENYL) -PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-12 WO disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (1 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KAT6A 388/4885STS 2533/4885TAS1R3 2088/4885

“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.