SCHEMBL6821732

SCHEMBL6821732

COC(=O)[C@@H](Cc1ccccc1)NCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 2/20 0.56
ATM Q13315 2/20 0.55
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
ANPEP P15144 1/20 0.49

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
SCHEMBL12197317 0.92 POLB (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL12534426 0.91 ALDH1A1 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL12197316 0.91 POLB (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6824154 0.89 MMP8 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrocinnamyl Alcohol SCHEMBL28255231 0.88 POLB (0.54) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL4024431 0.88 POLB (0.63) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9008918 0.87 POLB (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9008916 0.87 POLB (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9491800 0.87 POLB (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9487005 0.87 POLB (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303527-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS (DK) 2004-09-29 EP disclosed
EP-1303527-A1 MATRIX METALLOPROTEINASE INHIBITORS Leo Pharma A/S (DK) 2003-04-23 EP disclosed
US-6521606-B2 2-(4-Chlorophenoxy)-2-oxo-1,3,2-oxazaphosphorinane-3-aceto -hydroxamic acid, for example; antiathritic, -tumor, -metastasis, -proliferative and -ulcer agents; multiple sclerosis; vision defects; skin disorders LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2003-02-18 US disclosed
US-20020103166-A1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-08-01 US disclosed
WO-2002006293-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA A/S (DK) 2002-01-24 WO 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-20020103166-A1 Matrix metalloproteinase inhibitors MMP1, MMP9, MMP8 ALDH1A1 411/4885THRB 189/4885CYP2C9 758/4885

“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.