SCHEMBL3174071

SCHEMBL3174071

CCc1ccc([N]c2ccc(CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.56
CYP2C9 P11712 1/20 0.50
TP53 P04637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL24212689 0.82 PLAU (0.56) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL13638200 0.82 PLAU (0.56) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL36295 0.80 TP53 (0.67) PLAUTP53TAAR1CYP2A6LPL
SCHEMBL2720522 0.80 PLAU (0.54) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL12955721 0.78 PLAU (0.52) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL8587965 0.78 PLAU (0.52) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL8767212 0.78 PLAU (0.52) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL8267536 0.78 PLAU (0.52) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL8587970 0.78 PLAU (0.52) PLAUCYP2C9TP53TAAR1GRIN2D
SCHEMBL7542835 0.77 TP53 (0.62) PLAUTP53TAAR1CYP2A6LPL

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
CN-117769897-A Compound, composition, and photoelectric conversion element 住友化学株式会社 2024-03-26 CN disclosed
WO-2023008376-A1 COMPOUND, COMPOSITION, AND PHOTOELECTRIC CONVERSION ELEMENT 住友化学株式会社 2023-02-02 WO disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 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
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 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-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-6576800-B2 Crystalline polymer with a melting point of >/= 5J/g NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-06-10 US 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-20020028907-A1 Crystalline polymer with a melting point of >/= 5J/g SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-07 US disclosed
US-5233089-A Charge transport material; used in electrophotographic plates to provide improved sensitivity, photoresponse and durability HITACHI, LTD. (JP) 1993-08-03 US disclosed
EP-0273426-B1 ENAMINE DERIVATIVES, PRODUCTION THEREOF AND ELECTROPHOTOGRAPHIC PLATES CONTAINING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-03-17 EP disclosed
EP-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 EP 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 PLAU 3705/4885CYP2C9 3268/4885TP53 4791/4885
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 PLAU 4390/4885CYP2C9 2930/4885TP53 4806/4885

“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.