SCHEMBL4620895

SCHEMBL4620895

c1ccc2cc(OC[C@H]3CO3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TP53 P04637 3/20 0.68
TSHR P16473 3/20 0.68
HIF1A Q16665 2/20 0.68
CYP3A4 P08684 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 2/20 0.65
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
HTR3A P46098 1/20 0.55
KCNH2 Q12809 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC6A3 Q01959 1/20 0.53
AGXT P21549 2/20 0.52
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2527684 1.00 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL30546900 1.00 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL844653 1.00 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ACYP3A4
Methane SCHEMBL28312499 0.98 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL24591583 0.94 ALDH1A1 (0.60) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7793951 0.93 ALDH1A1 (0.67) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29366782 0.93 ALDH1A1 (0.67) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1715242 0.93 ALDH1A1 (0.71) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL18125579 0.89 ALDH1A1 (0.67) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL12441429 0.89 ALDH1A1 (0.67) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531890-B1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING STRUCTURE, AND LIQUID DISCHARGE HEAD CANON KK (JP) 2019-08-28 EP disclosed
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates OXRANE (UK) LTD. (GB) 2008-09-04 US disclosed
EP-1885849-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES Oxyrane UK Limited (GB) 2008-02-13 EP disclosed
WO-2006109198-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES OXYRANE UK LIMITED (GB) 2006-10-19 WO disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 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-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates GALE, DERA, GNE ALDH1A1 663/4885TP53 4052/4885TSHR 4775/4885

“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.