SCHEMBL6553696

SCHEMBL6553696

COc1ccc(N(C)c2cc[c]cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC2A1 P11166 1/20 0.46
EGFR P00533 2/20 0.43
PDGFRB P09619 2/20 0.43
KDR P35968 2/20 0.43
PTGIR P43119 1/20 0.43
APP P05067 1/20 0.42
CES1 P23141 1/20 0.41
CASP1 P29466 1/20 0.41
CASP14 P31944 1/20 0.41
CASP3 P42574 1/20 0.41
CASP2 P42575 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP7 P55210 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
SCHEMBL114319 0.87 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4422968 0.85 CA1 (0.48) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL29089898 0.84 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL22844960 0.80 APP (0.55) CA12CA1CA2CA7CA9
SCHEMBL9479718 0.80 SLC2A1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL9776389 0.79 NQO1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6152700 0.79 CA4 (0.46) CA12CA1CA2CA7CA9
SCHEMBL5277509 0.78 CA4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9479727 0.78 CA4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL257718 0.78 ACHE (0.68) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-4355823-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC CA12 3186/4885CA1 4077/4885CA2 3955/4885

“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.