SCHEMBL1776301

SCHEMBL1776301

[CH]=CCc1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AGXT P21549 1/20 0.53
HTR2B P41595 5/20 0.45
HTR1A P08908 2/20 0.45
CYP2A6 P11509 2/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 3/20 0.39
TYR P14679 1/20 0.39
DAO P14920 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL28768145 0.81 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL30511855 0.81 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL112634 0.81 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL859678 0.81 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL28076067 0.79 LOXL2 (0.56) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL3264177 0.78 LOXL2 (0.59) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL4386951 0.78 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL5793787 0.78 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL28311732 0.78 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ACYP2A6
SCHEMBL119196 0.78 LOXL2 (0.64) LOXL2AGXTHTR2BHTR1ACYP2A6

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-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
US-6627652-B1 Treatment of diseases or conditions of the type which are normally treated with retinoid-like compounds is disclosed, with pharmaceutical compositions containing an active compound which is a selective agonist of the RXR retinoid ALLERGAN, INC. 2003-09-30 US disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
EP-0682516-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1995-11-22 EP disclosed
US-5455265-A For mammals; skin disorders, cancer, inflammatory disease, cardiovascular diorders, autoimmune diseases and others ALLERGAN, INC. (US) 1995-10-03 US disclosed
WO-1994017796-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1994-08-18 WO disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 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-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA LOXL2 3288/4885AGXT 3280/4885HTR2B 1338/4885

“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.