SCHEMBL7568065

SCHEMBL7568065

O=C(OCCc1ccccc1)c1ccc2c(O)c(O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
ESR1 P03372 3/20 0.58
ESR2 Q92731 2/20 0.58
LCK P06239 3/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TYR P14679 3/20 0.49
APP P05067 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
EGFR P00533 2/20 0.45
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL7572516 0.84 L3MBTL1 (0.65) L3MBTL1ESR1ESR2LCKNPC1
SCHEMBL9397888 0.82 ESR1 (0.65) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL30674459 0.82 L3MBTL1 (0.75) L3MBTL1ESR1ESR2LCKNPC1
SCHEMBL10726700 0.82 L3MBTL1 (0.75) L3MBTL1ESR1ESR2LCKNPC1
SCHEMBL18906124 0.79 LCK (0.59) ESR1LCKTYRKDM4EHTT
SCHEMBL4733137 0.78 L3MBTL1 (1.00) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL9099369 0.78 ESR1 (0.52) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL10397935 0.77 L3MBTL1 (0.63) L3MBTL1ESR1ESR2LCKNPC1
SCHEMBL4459400 0.77 ESR1 (0.86) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL10397938 0.76 L3MBTL1 (0.62) L3MBTL1ESR1ESR2LCKNPC1

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
US-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, L.L.C. 2008-07-10 US disclosed
US-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, L.L.C. 2008-07-10 US disclosed
EP-0809493-B1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS US HEALTH (US) 2002-09-11 EP disclosed
EP-0809493-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-03 EP disclosed
US-5610185-A Method for the treatment of hyperproliferative epithelial skin diseases by topical application of hydroxylated aromatic protein cross-linking compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-11 US disclosed
WO-1996025159-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 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 (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-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS CYP24A1, VDR, CYP2R1 L3MBTL1 3866/4885ESR1 2883/4885ESR2 941/4885

“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.