SCHEMBL13456015

SCHEMBL13456015

COc1ccc2ccc(OC)c(Br)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 3/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
NQO1 P15559 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL23640316 0.87 CYP19A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL31553099 0.84 CYP19A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL28862956 0.82 RXFP1 (0.44) MAPTNQO1CYP19A1CYP11B1CYP11B2
SCHEMBL13778699 0.81 ACHE (0.52) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL31040134 0.79 CYP19A1 (0.42) MAPTCYP1A2NQO1CYP19A1CYP11B1
SCHEMBL29032162 0.79 ALDH1A1 (0.48) CA12CA1CA7CA9CA14
SCHEMBL29032197 0.79 CYP2A6 (0.44) CA12CA1CA7CA9CA14
SCHEMBL28795649 0.79 POLB (0.50) MAPTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL19382614 0.79 CYP1A2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7129654 0.78 IDO1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350064-B2 Fluorescent xanthenes and white light fluorophores BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-01-08 US disclosed
US-20100051826-A1 Fluorescent Xanthenes and White Light Fluorophores BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2010-03-04 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-20100051826-A1 Fluorescent Xanthenes and White Light Fluorophores XPOT, XPO6, XPO7 CA12 2749/4885CA1 4346/4885CA2 3078/4885

“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.