SCHEMBL5330754

SCHEMBL5330754

CCC[CH]c1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
MGLL Q99685 1/20 0.35
CYP2D6 P10635 1/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP24A1 Q07973 1/20 0.33
CCR3 P51677 1/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL15563320 0.88 POLB (0.37) GABRA1GABRB2MGLLCYP2D6THRB
SCHEMBL9248747 0.86 LIPG (0.38) GABRA1GABRB2CYP2D6MAPTLMNA
SCHEMBL15563323 0.85 MITF (0.35) CYP2D6TRPA1ALDH1A1
SCHEMBL18242067 0.84 GABRA1 (0.42) GABRA1GABRB2MGLLCYP2D6MAPT
SCHEMBL15563503 0.82 CYP3A4 (0.42) CYP2D6MAPTTHRB
SCHEMBL8124003 0.80 GABRA1 (0.42) GABRA1GABRB2MAOA
SCHEMBL15563655 0.80 LIPG (0.49) CYP2D6MAPTTHRB
SCHEMBL15563138 0.79 LIPG (0.51) MAPTTHRB
SCHEMBL5892736 0.78 GABRA1 (0.43) GABRA1GABRB2MGLLCYP2D6MAPT
SCHEMBL8371947 0.78 GABRA1 (0.38) GABRA1GABRB2MGLLCYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
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
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-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 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 (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 GABRA1 924/4885GABRB2 2041/4885MGLL 2557/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885MGLL 2557/4885
US-20150203454-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 GABRA1 2089/4885GABRB2 2264/4885MGLL 3835/4885
US-20170037013-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 GABRA1 2089/4885GABRB2 2264/4885MGLL 3835/4885

“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.