SCHEMBL5255382

SCHEMBL5255382

FC(F)(F)[CH]Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2D6 P10635 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL18242605 0.85 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18242280 0.82 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18241978 0.81 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18243400 0.81 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18378388 0.78 CYP1A2 (0.44) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL8378939 0.78 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL5830944 0.77 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18242557 0.75 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL301409 0.74 CYP2C19 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18243900 0.74 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9CYP2D6TDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437046-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2022-08-16 CN disclosed
CN-107406584-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2020-06-09 CN disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-01 US disclosed
EP-3263622-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME Nissan Chemical Industries, Ltd. (JP) 2018-01-03 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2C19 575/4885CYP1A2 360/4885CYP2C9 443/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B CYP2C19 2617/4885CYP1A2 665/4885CYP2C9 2077/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CYP2C19 2338/4885CYP1A2 558/4885CYP2C9 1574/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2C19 575/4885CYP1A2 360/4885CYP2C9 443/4885
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME AFF2, AFF1, AFF4 CYP2C19 3604/4885CYP1A2 3504/4885CYP2C9 4143/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CYP2C19 1447/4885CYP1A2 397/4885CYP2C9 896/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 CYP2C19 146/4885CYP1A2 174/4885CYP2C9 81/4885

“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.