SCHEMBL7051372

SCHEMBL7051372

CC(C)(O[C@@H]1C=C[C@H](O)C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.42
KCNN4 O15554 2/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 1/20 0.32
MDM2 Q00987 2/20 0.31
CHRM3 P20309 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL7051771 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KCNN4ESR1
SCHEMBL7051770 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KCNN4ESR1
SCHEMBL7050025 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KCNN4ESR1
SCHEMBL7051369 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KCNN4ESR1
SCHEMBL6045469 0.83 KCNN4 (0.32) ALDH1A1ALOX15KCNN4MDM2
SCHEMBL6045479 0.83 KCNN4 (0.32) ALDH1A1ALOX15KCNN4MDM2
SCHEMBL7047885 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1KCNN4CHRM3
SCHEMBL7047894 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1KCNN4CHRM3
SCHEMBL7047888 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1KCNN4CHRM3
SCHEMBL7052642 0.75 MAPK1 (0.38) ALDH1A1ALOX15MAPK1

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-1086942-B1 Optically active alcohols and processes for the preparation thereof CHISSO CORP (JP) 2003-04-23 EP claimed
EP-1086942-A1 Optically active alcohols and processes for the preparation thereof CHISSO CORPORATION (JP) 2001-03-28 EP claimed
EP-1086942-B1 Optically active alcohols and processes for the preparation thereof CHISSO CORP (JP) 2003-04-23 EP disclosed
US-6495725-B2 USEFUL AS CHEMICAL INTERMEDIATES FOR PROSTAGLANDINS AND DRUGS CHISSO CORPORATION (JP) 2002-12-17 US disclosed
US-20020028958-A1 Process for the preparation of optically active enones and intermediates thereof JNC CORPORATION (JP) 2002-03-07 US disclosed
JP-2001158758-A OPTICALLY ACTIVE COMPOUND AND METHOD OF PRODUCING THE SAME CHISSO CORP 2001-06-12 JP disclosed
EP-1086942-A1 Optically active alcohols and processes for the preparation thereof CHISSO CORPORATION (JP) 2001-03-28 EP disclosed
EP-1086942-A1 Optically active alcohols and processes for the preparation thereof CHISSO CORPORATION (JP) 2001-03-28 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 (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-20020028958-A1 Process for the preparation of optically active enones and intermediates thereof HSD17B7, NR3C2, CYP11B1 ALDH1A1 471/4885ALOX15 305/4885MAPK1 412/4885

“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.