SCHEMBL196298

SCHEMBL196298

CCCc1cccc(-c2cccc(CCC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HTR7 P34969 3/20 0.44
BCL2 P10415 1/20 0.44
AGXT P21549 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KIF11 P52732 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41

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
SCHEMBL30777855 1.00 CTSS (0.51) CTSSCTSKCNR1CNR2HTR7
SCHEMBL24005570 0.98 CTSS (0.50) CTSSCTSKCNR1CNR2HTR7
SCHEMBL4533749 0.93 AGXT (0.52) CTSSCTSKHTR7BCL2AGXT
SCHEMBL25380703 0.93 BCL2 (0.53) CTSSCTSKCNR1CNR2HTR7
SCHEMBL10078136 0.91 AGXT (0.50) CTSSCTSKHTR7BCL2AGXT
SCHEMBL15238584 0.91 MCL1 (0.49) CTSSCTSKCNR1CNR2BCL2
SCHEMBL3836772 0.89 AGXT (0.48) CTSSCTSKHTR7BCL2AGXT
SCHEMBL4427360 0.88 TAAR1 (0.52) CTSSCTSK
SCHEMBL24093382 0.88 BCL2 (0.53) CTSSCTSKCNR1CNR2BCL2
SCHEMBL30728547 0.88 TAAR1 (0.52) CTSSCTSKAGXTDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-11725093-B2 Bioderived heat transfer fluids and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2023-08-15 US disclosed
US-10329243-B2 Biphenyl derivative and uses thereof XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2019-06-25 US disclosed
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-05-24 US disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO disclosed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
WO-2006047158-A2 NOVEL COMPOSITIONS OF MONOMERS, OLIGOMERS AND POLYMERS AND METHODS FOR MAKING THE SAME HOKU SCIENTIFIC, INC. (US) 2006-05-04 WO disclosed
US-4292462-A INSULATORS-COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1981-09-29 US disclosed
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 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 (5 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-10329243-B2 Biphenyl derivative and uses thereof PPARD, PCSK9, UGT2B7 CTSS 4124/4885CTSK 4298/4885CNR1 2029/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CTSS 4249/4885CTSK 3624/4885CNR1 2506/4885
US-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF PPARD, DPP3, DPP7 CTSS 4225/4885CTSK 4367/4885CNR1 2383/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CTSS 4294/4885CTSK 2898/4885CNR1 4345/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 CTSS 1011/4885CTSK 1426/4885CNR1 3735/4885

“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.