SCHEMBL477382

SCHEMBL477382

Oc1ccccc1-c1ccccc1O.[Ti]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 3/20 0.63
BCL2L1 Q07817 1/20 0.63
ALOX15 P16050 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
EGFR P00533 2/20 0.60
CA2 P00918 2/20 0.60
LMNA P02545 2/20 0.60
FYN P06241 2/20 0.60
MMP9 P14780 2/20 0.60
RECQL P46063 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
CA12 O43570 1/20 0.60
GMNN O75496 1/20 0.60
POLB P06746 1/20 0.60
CA3 P07451 1/20 0.60

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
SCHEMBL29716098 1.00 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL28837387 1.00 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL30442890 0.96 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL29623192 0.96 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL27659427 0.96 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL28574 0.96 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL7845497 0.93 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
SCHEMBL986607 0.93 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
Potassium SCHEMBL30932291 0.93 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10BCL2L1ALOX15
Catechol SCHEMBL21408977 0.93 ALDH1A1 (0.71) ALDH1A1HPGDHSD17B10BCL2L1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT ALDH1A1 62/4885HPGD 568/4885HSD17B10 1698/4885

“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.