SCHEMBL6671972

SCHEMBL6671972

CC(C)(C)c1cccc2c1SCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.47
PTGS2 P35354 6/20 0.47
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALOX5 P09917 4/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL7134583 0.84 PTGS1 (0.46) PTGS1PTGS2CA2GABRA1GABRB2
SCHEMBL6642062 0.74 PTGS1 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6672311 0.74 PTGS1 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6984374 0.70 PTGS2 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6668333 0.69 PTGS1 (0.52) PTGS1PTGS2ALDH1A1TSHRTDP1
SCHEMBL8349771 0.69 PTGS1 (0.45) PTGS1PTGS2ALOX5ALDH1A1TSHR
SCHEMBL9770746 0.67 CA2 (0.38) PTGS1PTGS2CA2GABRA1GABRB2
SCHEMBL11934149 0.67 CA2 (0.38) PTGS1PTGS2CA2GABRA1GABRB2
SCHEMBL2692662 0.66 PTGS2 (0.54) PTGS1PTGS2ALOX5
SCHEMBL17014259 0.64 PTGS1 (0.31) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-08-09 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed
US-9488755-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2016-11-08 US disclosed
US-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2016-11-03 US disclosed
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2015-02-19 US disclosed
US-8846955-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2014-09-30 US disclosed
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
EP-0879231-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-09-22 EP disclosed
EP-0891346-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-01-20 EP disclosed
EP-0879231-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-25 EP disclosed
US-5684041-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5672620-A ANALGESICS, ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
WO-1997028143-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
WO-1997028148-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 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-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 PTGS1 1313/4885PTGS2 264/4885CA2 2857/4885
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 PTGS1 1313/4885PTGS2 264/4885CA2 2857/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 PTGS1 1313/4885PTGS2 264/4885CA2 2857/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 PTGS1 1313/4885PTGS2 264/4885CA2 2857/4885

“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.