SCHEMBL4598863

SCHEMBL4598863

COc1ccc(C[C@H](C)O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.64
ALOX15 P16050 3/20 0.63
ALOX12 P18054 3/20 0.63
CA2 P00918 1/20 0.59
STAT3 P40763 1/20 0.57
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
FOS P01100 1/20 0.56
TTR P02766 1/20 0.56
JUN P05412 1/20 0.56
NR3C1 P04150 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL4599982 1.00 LDHA (0.64) LDHAALOX15ALOX12CA2STAT3
SCHEMBL31572667 1.00 LDHA (0.64) LDHAALOX15ALOX12CA2STAT3
SCHEMBL4598867 1.00 LDHA (0.64) LDHAALOX15ALOX12CA2STAT3
SCHEMBL16323169 0.87 ALOX15 (0.71) LDHAALOX15ALOX12CA2STAT3
SCHEMBL19337385 0.85 FOS (0.77) ALOX15ALOX12GABRA1GABRB2FOS
SCHEMBL19342846 0.85 ALOX15 (0.64) LDHAALOX15ALOX12CA2STAT3
SCHEMBL16323166 0.85 ALOX15 (0.64) LDHAALOX15ALOX12CA2STAT3
SCHEMBL14532804 0.85 FOS (0.77) ALOX15ALOX12GABRA1GABRB2FOS
SCHEMBL17571985 0.85 GABRA1 (0.54) LDHAALOX15ALOX12STAT3GABRA1
SCHEMBL29209157 0.85 LDHA (0.64) LDHAALOX15ALOX12CA2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469079-B1 Carbonly reductase, polynucleotides comprising DNA encoding the same, methods for producing the same,and methods for producing optically active alcohol utilizing the same DAICEL CHEM (JP) 2008-04-09 EP claimed
US-7083962-B2 Carbonyl reductases, polynucleotides comprising DNA encoding the same, methods for producing the same, and methods for producing optically active alcohol utilizing the same DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2006-08-01 US claimed
US-20050148057-A1 Carbonyl reductases, polynucleotides comprising DNA encoding the same, methods for producing the same, and methods for producing optically active alcohol utilizing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-07-07 US claimed
EP-1469079-A1 Carbonly reductases, polynucleotides comprising DNA encoding the same, methods for producing the same,and methods for producing optically active alcohol utilizing the same Daicel Chemical Industries, Ltd. (JP) 2004-10-20 EP claimed
JP-8089261-A None JP disclosed
WO-2025133657-A1 BIARYL-TYPE HETEROCYCLIC COMPOUNDS AND ANTI-BACTERIAL USES THEREOF DEBRECENI EGYETEM (HU) 2025-06-26 WO disclosed
EP-3225616-A1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
US-20080269202-A1 Novel 2,3-benzodiazepine derivatives and their use as antipsychotic agents TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-30 US disclosed
WO-2008124075-A1 NOVEL 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-16 WO disclosed
EP-1469079-B1 Carbonly reductase, polynucleotides comprising DNA encoding the same, methods for producing the same,and methods for producing optically active alcohol utilizing the same DAICEL CHEM (JP) 2008-04-09 EP disclosed
US-7083962-B2 Carbonyl reductases, polynucleotides comprising DNA encoding the same, methods for producing the same, and methods for producing optically active alcohol utilizing the same DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2006-08-01 US disclosed
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
JP-H0889261-A PRODUCTION OF OPTICALLY ACTIVE 1-(3,4-DIMETHOXYPHENYL)-2-PROPANOL KANEGAFUCHI CHEM IND CO LTD 1996-04-09 JP disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed
JP-H00889261-A 0001-01-01 JP 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 (2 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-20080269202-A1 Novel 2,3-benzodiazepine derivatives and their use as antipsychotic agents GABRA3, GABRB3, GABRA4 LDHA 4084/4885ALOX15 4111/4885ALOX12 4047/4885
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 LDHA 20/4885ALOX15 99/4885ALOX12 155/4885

“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.