SCHEMBL7935287

SCHEMBL7935287

C[C@H](O)Cc1ccc(O)c(O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.73
ALOX12 P18054 7/20 0.73
KDM4E B2RXH2 4/20 0.73
RECQL P46063 3/20 0.73
HIF1A Q16665 3/20 0.73
HSD17B10 Q99714 3/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 2/20 0.73
ESR1 P03372 2/20 0.73
TP53 P04637 2/20 0.73
CYP3A4 P08684 2/20 0.73
HPGD P15428 2/20 0.73
MAPK1 P28482 2/20 0.73
KMT2A Q03164 2/20 0.73
TRPA1 O75762 2/20 0.73
USP2 O75604 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
HTR2A P28223 2/20 0.73
PTGS2 P35354 2/20 0.73
TDP1 Q9NUW8 2/20 0.73

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
SCHEMBL367984 1.00 ALOX15 (0.73) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL7937186 1.00 ALOX15 (0.73) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL31488529 1.00 ALOX15 (0.73) ALOX15ALOX12KDM4ERECQLHIF1A
Masoprocol SCHEMBL3818 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
Masoprocol SCHEMBL29350884 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
Masoprocol SCHEMBL29355090 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
Nordihydroguaiaretic Acid SCHEMBL13906133 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
Nordihydroguaiaretic Acid SCHEMBL29434238 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
Nordihydroguaiaretic Acid SCHEMBL135976 0.84 ALOX15 (1.00) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL57083 0.84 ALOX15 (0.76) ALOX15ALOX12KDM4ERECQLHIF1A

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
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-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
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

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-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 ALOX15 99/4885ALOX12 155/4885KDM4E 509/4885

“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.