SCHEMBL4512063

SCHEMBL4512063

CC(=O)Oc1ccc(O)cc1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ELANE P08246 4/20 0.48
F2 P00734 1/20 0.48
PTPN1 P18031 1/20 0.48
CFD P00746 1/20 0.48
AKT1 P31749 1/20 0.47
CTSG P08311 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 1/20 0.44
HSP90AA1 P07900 1/20 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
SCHEMBL4313901 0.85 ALOX5 (0.50) ALOX5ELANEF2PTPN1CTSG
SCHEMBL3347282 0.83 ALOX5 (0.45) ALOX5ELANEF2CTSGHSP90AA1
SCHEMBL27512435 0.82 MTNR1B (0.57) MAPTMAPK1ALDH1A1
SCHEMBL531084 0.82 PTGS2 (0.54) PTPN1CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL6706457 0.81 KDM4E (0.52) ALOX5ELANEF2CTSGMAPT
SCHEMBL5801725 0.81 ALOX5 (0.56) ALOX5ELANEF2CTSG
SCHEMBL4848267 0.80 CYP3A4 (0.50) ALOX5PTPN1CFDAKT1CYP3A4
SCHEMBL343656 0.80 ALOX5 (0.59) ALOX5ELANEF2
SCHEMBL9164207 0.80 AKT1 (0.55) ELANECFDAKT1
SCHEMBL11110381 0.79 RECQL (0.53) MAPTALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
CN-100360325-C Multicolor thermal recording medium JUJO PAPER CO LTD (JP) 2008-01-09 CN disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
CN-1638973-A multicolor thermosensitive recording medium JUJO PAPER CO LTD (JP) 2005-07-13 CN disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed
US-6432874-B1 POSTAGE STAMPS NIPPON PAPER INDUSTRIES CO, LTD (JP) 2002-08-13 US disclosed
US-6184300-B1 USEFUL AS HEAT-INSULATING MATERIAL, ORGANIC PIGMENT, OR OPACIFYING AGENT, AND AS HEAT-INSULATING INTERLAYER TO BE FORMED IN THERMAL RECORDING MATERIAL NIPPON ZEON CO., LTD. (JP) 2001-02-06 US disclosed
EP-0366461-B1 Optical recording medium JUJO PAPER CO LTD (JP) 1997-02-19 EP disclosed
US-5075146-A Containing heat sensitive color developable layer on infrared absorbent substrates JUJO PAPER CO., LTD. (JP) 1991-12-24 US disclosed
EP-0366461-A2 Optical recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1990-05-02 EP disclosed
US-4853362-A Heat-sensitive recording sheet JUJO PAPER CO., LTD. (JP) 1989-08-01 US disclosed
US-4590499-A MONOBENZYL CALCIUM PHTHALATE OR ZINC P-NITROBENZOATE AS STABILIZER IN THE CHROMOGEN LAYER; OIL REPELLENTS JUJO PAPER CO., LTD. (JP) 1986-05-20 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 (3 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 ALOX5 624/4885ELANE 3594/4885F2 1272/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 ALOX5 653/4885ELANE 2719/4885F2 3756/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 ALOX5 624/4885ELANE 3594/4885F2 1272/4885

“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.