SCHEMBL9748717

SCHEMBL9748717

COc1cc(C)c2cccc-2c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
CYP3A4 P08684 4/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48
CYP2A7 P20853 2/20 0.48
CYP3A7 P24462 2/20 0.48
CYP2F1 P24903 2/20 0.48
CYP2C18 P33260 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2J2 P51589 2/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4F8 P98187 2/20 0.48

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
SCHEMBL12326180 0.82 CA1 (0.50) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL12989512 0.80 MAPK1 (0.48) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL12989388 0.78 CYP11B1 (0.52) CYP3A4CYP1A2CYP2D6CYP2A6CYP2C9
SCHEMBL25251070 0.76 LMNA (0.46) CYP3A4CYP1A2CYP2A6CYP2C19MEN1
SCHEMBL28492019 0.76 GPR3 (0.46) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL1673424 0.76 ALDH1A1 (0.46) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL17178230 0.76 CYP1A2 (0.48) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL7699015 0.75 MAPT (0.46) CYP3A4CYP1A2CYP2D6CYP2A6CYP2C9
SCHEMBL30159166 0.74 ABL1 (0.56) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL21114228 0.73 MAPK1 (0.46) ACHECYP3A4CYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150316863-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS, AND GALLIUM PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-11-05 US disclosed
US-20150316863-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS, AND GALLIUM PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-11-05 US disclosed
US-5149819-A Squarylium compounds and optical information recording medium using the same RICOH COMPANY, LTD. (JP) 1992-09-22 US disclosed
US-5085909-A SQUARYLIUM COMPOUNDS AND OPTICAL INFORMATION RECORDING MEDIUM USING THE SAME RICOH COMPANY, LTD. (JP) 1992-02-04 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 (1 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-20150316863-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS, AND GALLIUM PHTHALOCYANINE CRYSTAL GGCT, GRK7, GNG2 ACHE 3059/4885CYP3A4 2097/4885CYP1A1 2229/4885

“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.