SCHEMBL5336455

SCHEMBL5336455

CC(=O)OCc1cc(=O)oc2cc(O)c(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MCL1 Q07820 6/20 0.48
AKR1B1 P15121 1/20 0.48
HSD17B3 P37058 2/20 0.46
POLB P06746 3/20 0.44
GLA P06280 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
NR4A1 P22736 1/20 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
SCHEMBL299767 0.89 MCL1 (0.50) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL29806171 0.88 MCL1 (0.52) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL299768 0.88 MCL1 (0.52) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL14930073 0.85 HSD17B3 (0.63) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL7459816 0.84 MCL1 (0.56) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL13901263 0.83 NPC1 (0.45) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL13058664 0.82 HSD17B3 (0.58) KDM4EMEN1KMT2AMCL1AKR1B1
SCHEMBL16010022 0.81 KDM4E (0.42) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL16010021 0.81 MCL1 (0.42) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL6403952 0.80 MCL1 (0.49) KDM4ELMNANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304168-B2 Photo-caged fluorescent molecules BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2007-12-04 US disclosed
US-7304168-B2 Photo-caged fluorescent molecules BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2007-12-04 US disclosed
US-20050042662-A1 Photo-caged fluorescent molecules BOARD OF REGENTS (US) 2005-02-24 US disclosed
US-6472541-B2 HALOGENATED- COUMARIN, QUINOLINE-2-ONE, XANTHENE, THIOXANTHENE, SELENOXANTHENEN, OR ANTHRACENE DERIVATIVES; IRRADIATING TO CONTROL THE RELEASE OF THE SOMPOUND SPATIALLY AND TEMPORALLY TO PROBE ITS BIOLOGICAL EFFECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-29 US disclosed
EP-1151350-A4 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES UNIV CALIFORNIA (US) 2002-08-21 EP disclosed
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-02-07 US disclosed
EP-1151350-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES The Regents of the University of California (US) 2001-11-07 EP disclosed
WO-2000031588-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-02 WO 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 (2 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-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES ERCC4, XPA, GPX4 KDM4E 4063/4885LMNA 1274/4885NPC1 1261/4885
US-20050042662-A1 Photo-caged fluorescent molecules GJA1, GJB2, CBX7 KDM4E 2881/4885LMNA 431/4885NPC1 1722/4885

“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.