SCHEMBL68782

SCHEMBL68782

O=CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP2D6 P10635 1/20 0.44
HRH1 P35367 5/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6340019 0.89 CHRNB2 (0.55) HTR2ATAAR1CYP2D6TDP1CHRNB2
SCHEMBL28772579 0.89 HTR2A (0.59) HTR2ATDP1
SCHEMBL5995430 0.87 CNR1 (0.45) HTR2ACYP2C19TSHR
SCHEMBL6701579 0.87 IDO1 (0.46) CYP2D6CYP2C19L3MBTL1TDP1TSHR
SCHEMBL4604382 0.87 SLC6A3 (0.55) KDM4ETSHR
SCHEMBL27546481 0.84 LOXL2 (0.46) HTR2ATAAR1CYP2D6HRH1CYP2C19
SCHEMBL6338658 0.82 KMT2A (0.43) CYP2C19KDM4E
SCHEMBL15574233 0.82 IDO1 (0.45) HTR2ATAAR1CYP2D6HRH1CYP2C19
SCHEMBL6699162 0.82 ACP3 (0.47)
SCHEMBL6703510 0.82 ACP3 (0.51) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-3283622-A1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO F. Hoffmann-La Roche AG (CH) 2018-02-21 EP claimed
WO-2016166120-A1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO F. HOFFMANN-LA ROCHE AG (CH) 2016-10-20 WO claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
CN-101160300-B A method for preparing hydroxylated isoflavone DSM IP ASSETS BV 2012-06-27 CN claimed
US-20110319592-A1 Process for the Purification of Antibodies Using Affinity Resins Comprising Specific Ligands NOVO NORDISK A/S (DK) 2011-12-29 US claimed
EP-2346892-A1 PROCESS FOR THE PURIFICATION OF ANTIBODIES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-07-27 EP claimed
US-5047397-A Natriuretics, diuretics, vasodilators CALIFORNIA BIOTECHNOLOGY INC. (US) 1991-09-10 US claimed
EP-0410989-A4 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES 1991-06-05 EP claimed
EP-0410989-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY, INC. (US) 1991-02-06 EP claimed
US-4935492-A Cyclic analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY INC. (US) 1990-06-19 US claimed
WO-1989009611-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-10-19 WO claimed
EP-0323740-A2 Linear analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1989-07-12 EP claimed
WO-1989005654-A1 LINEAR ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-06-29 WO claimed
US-4804650-A DIURETICS, VASODILATORS BIOTECHNOLOGY RESEARCH ASSOCIATES, J.V. (US) 1989-02-14 US claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110319592-A1 Process for the Purification of Antibodies Using Affinity Resins Comprising Specific Ligands FCGR1A, FCGR2A, FCGR3B HTR2A 4793/4885TAAR1 3124/4885CYP2D6 4788/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 HTR2A 3407/4885TAAR1 3263/4885CYP2D6 3969/4885

“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.