SCHEMBL6913489

SCHEMBL6913489

O=C(C=Cc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.74
PTPN1 P18031 1/20 0.74
CYP1B1 Q16678 4/20 0.68
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
CYP1A2 P05177 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
NPC1 O15118 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A1 P04798 3/20 0.60
CYP2D6 P10635 1/20 0.60

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
SCHEMBL657527 0.91 CYP1B1 (0.82) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL657528 0.91 CYP1B1 (0.82) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL656220 0.91 CYP3A4 (0.77) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL656219 0.91 CYP3A4 (0.77) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL29624424 0.91 CYP3A4 (0.77) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL656428 0.87 CYP1B1 (0.81) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL656427 0.87 CYP1B1 (0.81) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL13680427 0.87 CYP3A4 (0.75) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL25221764 0.86 CYP3A4 (0.76) CYP3A4PTPN1CYP1B1MAOAMAOB
SCHEMBL15507014 0.86 CYP3A4 (0.76) CYP3A4PTPN1CYP1B1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR CYP3A4 1342/4885PTPN1 395/4885CYP1B1 3336/4885

“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.