SCHEMBL113300

SCHEMBL113300

[CH]c1ccc(OC)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CYP1B1 Q16678 11/20 0.55
CYP1A1 P04798 10/20 0.55
CYP1A2 P05177 10/20 0.55
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2E1 P05181 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48
CYP2A7 P20853 2/20 0.48

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
SCHEMBL113301 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2090961 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2090959 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL10927757 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10927763 0.76 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3651230 0.76 NQO2 (0.44) CYP1A2ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL196689 0.75 CYP1A1 (0.69) 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 1756 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486966-A Method for synthesizing brassinolide 山东成武泽大泛科化工有限公司 2024-02-02 CN claimed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
EP-3291792-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'Oréal (FR) 2018-03-14 EP claimed
WO-2016177908-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2016-11-10 WO claimed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 US claimed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US claimed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US claimed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US claimed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP claimed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 WO claimed
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin MERCK EPROVA AG (CH) 2007-10-18 US claimed
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 EP claimed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 WO claimed
EP-1480943-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS Teva Pharmaceutical Industries Limited (IL) 2004-12-01 EP claimed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP claimed
WO-2004046105-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-03 WO claimed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP claimed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP claimed
CN-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN disclosed
EP-0089812-A1 N-substituted pseudo-aminosugars, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-09-28 EP 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 (4 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-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA12 2442/4885CA1 2649/4885CA2 1415/4885
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA12 2442/4885CA1 2649/4885CA2 1415/4885
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 CA12 2442/4885CA1 2649/4885CA2 1415/4885
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin SPR, DHPS, BLVRB CA12 4737/4885CA1 4682/4885CA2 4836/4885

“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.