SCHEMBL6152945

SCHEMBL6152945

CCCCCOc1ccc(-c2c[nH]c(-c3ccc(OCCCCC)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.54
CYP2C9 P11712 7/20 0.54
CYP2C19 P33261 7/20 0.54
CYP1A2 P05177 6/20 0.54
CYP3A4 P08684 6/20 0.54
CYP19A1 P11511 6/20 0.54
RARB P10826 3/20 0.50
GPR84 Q9NQS5 1/20 0.50
NR5A1 Q13285 1/20 0.47
LTA4H P09960 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL20392672 0.94 LTA4H (0.53) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL28780750 0.81 CYP2D6 (0.70) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6905782 0.81 CYP2D6 (0.70) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL20392669 0.80 LSS (0.43)
SCHEMBL2204178 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9154372 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9154663 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9150185 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9150611 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9153965 0.79 RARB (0.71) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4

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
EP-1253151-B1 Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES (JP) 2005-01-12 EP disclosed
US-6805978-B2 COMPLEX CONTAINING DIKETOPYRROLO(3,4-C)PYRROLE COMPOUND TORAY INDUSTRIES, INC. (JP) 2004-10-19 US disclosed
US-20030082406-A1 Complex containing diketopyrrolo(3,4-c)pyrrole compound TORAY INDUSTRIES, INC. (JP) 2003-05-01 US disclosed
EP-1253151-A1 Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES, INC. (JP) 2002-10-30 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 (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-20030082406-A1 Complex containing diketopyrrolo(3,4-c)pyrrole compound PPOX, CPNE4, TP53RK CYP2D6 468/4885CYP2C9 517/4885CYP2C19 374/4885

“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.