SCHEMBL4392260

SCHEMBL4392260

COc1ccc([N]c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.59
LTA4H P09960 2/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TRPA1 O75762 1/20 0.50
NOS3 P29474 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1900456 0.90 CA1 (0.65) CA4LTA4HCA12CA1CA2
SCHEMBL1405136 0.86 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL1405134 0.86 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL8441056 0.80 HTR3E (0.56) CA4LTA4HCA1CA2CA7
SCHEMBL28006858 0.80 CA4 (0.52) CA4LTA4HCA12CA1CA2
SCHEMBL5426092 0.80 L3MBTL1 (0.64) CA4LTA4HALDH1A1TDP1KDM4E
1,4-Dimethoxybenzene SCHEMBL27781098 0.79 CA1 (0.85) CA4LTA4HCA12CA1CA2
SCHEMBL9480218 0.79 CA4 (0.50) CA4LTA4HCA12CA1CA2
Anisole SCHEMBL2336801 0.76
Anisole SCHEMBL14954344 0.76 CA4 (0.88) CA4LTA4HCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457917-B1 Silanol-containing triarylamine derivatives SHINETSU CHEMICAL CO (JP) 2014-06-18 EP disclosed
US-8575384-B2 Silanol-containing triarylamine derivatives SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-11-05 US disclosed
US-20120149913-A1 SILANOL-CONTAINING TRIARYLAMINE DERIVATIVES SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-14 US disclosed
EP-2457917-A1 Silanol-containing triarylamine derivatives Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-30 EP disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
US-6929870-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-08-16 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 EP disclosed
US-4199361-A 3-ANILINO-5-PYRAZOLONE MAGENTA COLOR-FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-04-22 US disclosed
US-4133686-A ANILINOPYRAZOLINONE MAGENTA COLOR FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1979-01-09 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 (3 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CA4 413/4885LTA4H 2574/4885CA12 717/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CA4 265/4885LTA4H 4491/4885CA12 539/4885
US-20120149913-A1 SILANOL-CONTAINING TRIARYLAMINE DERIVATIVES SIK2, AS3MT, ILK CA4 3518/4885LTA4H 869/4885CA12 4467/4885

“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.