SCHEMBL639799

SCHEMBL639799

O[C@@H]1C=CC=C(c2ccccc2)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MMP3 P08254 1/20 0.30
BCL2L1 Q07817 1/20 0.30

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
SCHEMBL639800 1.00 ALDH1A1 (0.32) ALDH1A1MMP3BCL2L1
SCHEMBL639798 1.00 ALDH1A1 (0.32) ALDH1A1MMP3BCL2L1
SCHEMBL9788612 0.82 ESR1 (0.39) ALDH1A1MMP3BCL2L1
SCHEMBL2931007 0.80 CYP1A2 (0.32)
SCHEMBL6744628 0.72 KDM4E (0.43) ALDH1A1
SCHEMBL16807414 0.68 ADAMTS4 (0.37) ALDH1A1
SCHEMBL28153377 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11237308 0.65 BACE1 (0.32) ALDH1A1
SCHEMBL30139970 0.65 CYP3A4 (0.33) ALDH1A1
SCHEMBL20860346 0.64 MAOB (0.33) ALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825624-B2 WATER SOLUBLE COMPOSITIONS INCORPORATING ENZYMES, AND METHOD OF MAKING SAME MONOSOL LLC (US) 2022-07-27 EP disclosed
EP-2825624-B1 WATER SOLUBLE COMPOSITIONS INCORPORATING ENZYMES, AND METHOD OF MAKING SAME MONOSOL LLC (US) 2018-04-25 EP disclosed
US-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2015-08-27 US disclosed
US-8962800-B2 Nucleic acids and proteins and methods for making and using them BP CORPORATION NORTH AMERICA INC. (US) 2015-02-24 US disclosed
EP-2616481-A2 BIOPRODUCTION OF AROMATIC CHEMICALS FROM LIGNIN-DERIVED COMPOUNDS Aligna Technologies, Inc. (US) 2013-07-24 EP disclosed
US-20130143304-A9 LIGF-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2013-06-06 US disclosed
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them BP CORPORATION NORTH AMERICA INC. (US) 2012-10-18 US disclosed
US-20120202257-A1 LIGE-TYPE ENZYMES FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20120202272-A1 LIGE-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC 2012-08-09 US disclosed
US-20120202258-A1 LIGE-TYPE TRANSFORMANTS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20070213541-A1 Synthesis of acetonides from aryl silanes DOW CORNING CORPORATION 2007-09-13 US disclosed
US-7179932-B2 Synthesis of cis-diols from aryl silanes GENENCOR INTERNATIONAL, INC. (US) 2007-02-20 US disclosed
EP-1711618-A1 METHODS FOR DETECTING MARKERS ASSOCIATED WITH ENDOMETRIAL DISEASE OR PHASE MOUNT SINAI HOSPITAL CORPORATION (CA) 2006-10-18 EP disclosed
WO-2005061725-A1 METHODS FOR DETECTING MARKERS ASSOCIATED WITH ENDOMETRIAL DISEASE OR PHASE MOUNT SINAI HOSPITAL (CA) 2005-07-07 WO disclosed
US-20050118665-A1 Methods for conducting assays for enzyme activity on protein microarrays PROTOMETRIX, INC. 2005-06-02 US disclosed
US-6794167-B2 PROTEIN COMPLEX FOR USE IN THE BIOSYNTHESIS OF PREFERENTIAL COMPOUNDS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-09-21 US disclosed
US-20030022335-A1 Novel polypeptides and methods for their use UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-01-30 US disclosed
US-5036009-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-30 US disclosed
US-4508822-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0076606-A1 Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 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 (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-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM POLN, POLM, POLI ALDH1A1 2292/4885MMP3 1007/4885BCL2L1 2687/4885
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI ALDH1A1 2292/4885MMP3 1007/4885BCL2L1 2687/4885
US-20070213541-A1 Synthesis of acetonides from aryl silanes CYP21A2, CYP11B1, CYP11B2 ALDH1A1 191/4885MMP3 2815/4885BCL2L1 3808/4885

“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.