SCHEMBL2921344

SCHEMBL2921344

C[CH]c1ccccc1CCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
LIPG Q9Y5X9 1/20 0.44
TLR8 Q9NR97 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TYR P14679 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
MITF O75030 1/20 0.35
CTRC Q99895 1/20 0.34
BID P55957 2/20 0.34
BCL2L1 Q07817 2/20 0.34
MCL1 Q07820 2/20 0.34
BAK1 Q16611 2/20 0.34

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
SCHEMBL677129 0.94 LIPG (0.52) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL2919192 0.92 LIPG (0.55) CYP3A4LIPGTHRATHRBTYR
SCHEMBL667813 0.92 LIPG (0.55) CYP3A4LIPGTHRATHRBTYR
SCHEMBL677573 0.92 LIPG (0.55) CYP3A4LIPGTHRATHRBTYR
SCHEMBL321422 0.87 MITF (0.37) CYP3A4CYP2D6CYP2C9LIPGMITF
SCHEMBL2490237 0.85 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL31094907 0.84 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL17160041 0.84 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL11260116 0.83 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL676348 0.82 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9LIPGTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021107870-A1 ANTIMICROBIAL AGENT, COATING FORMULATION, COMPOSITE SURFACE COATING AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-06-03 WO 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-9802902-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-31 US disclosed
US-20170037013-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-09 US 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
US-9493424-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-15 US disclosed
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 CN disclosed
US-20150203454-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-23 US disclosed
WO-2014025314-A1 An Antifungal Compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-02-13 WO disclosed
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
US-20040033437-A1 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. 2004-02-19 US disclosed
US-6692883-B2 GENERATING ACID; ADJUSTMENT SOLUBILITY IN ALKLAINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US disclosed
EP-1367439-A1 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2003-12-03 EP disclosed
US-6630280-B1 Resin and compound that generates an arylsulfonic acid when exposed to actinic radiation; sensitivity; resolution; smoothness FUJI PHOTO FILM CO., LTD. (JP) 2003-10-07 US disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
US-RE31002-E N-(3-Hydroxyaryl-propyl)-imides CIBA-GEIGY CORPORATION (US) 1982-07-27 US disclosed
US-4066616-A ORGANIC POLYMERS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-3956298-A POLYMER STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-05-11 US 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP3A4 1029/4885CYP2D6 881/4885CYP2C9 443/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP3A4 1029/4885CYP2D6 881/4885CYP2C9 443/4885
US-20150203454-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 CYP3A4 691/4885CYP2D6 2432/4885CYP2C9 2016/4885
US-20170037013-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 CYP3A4 691/4885CYP2D6 2432/4885CYP2C9 2016/4885

“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.