SCHEMBL20130330

SCHEMBL20130330

Cc1cc(O)cc(OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
PTPN1 P18031 1/20 0.44
POLB P06746 2/20 0.39
HCAR1 Q9BXC0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ACHE P22303 2/20 0.34
CYP3A4 P08684 3/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSPA5 P11021 1/20 0.31

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
SCHEMBL12285755 0.85 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2CA2TYR
SCHEMBL13449766 0.85 BACE1 (0.44) ALDH1A1SMN1; SMN2CA2GABRA1GABRB2
SCHEMBL15341308 0.85 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2CA2TYR
SCHEMBL9789782 0.85 GABRA1 (0.42) ALDH1A1SMN1; SMN2CA2GABRA1GABRB2
SCHEMBL30413264 0.83 ALDH1A1 (0.48) ALDH1A1PTPN1POLBHCAR1SMN1; SMN2
SCHEMBL20962938 0.83 ALDH1A1 (0.48) ALDH1A1PTPN1POLBHCAR1SMN1; SMN2
SCHEMBL18925849 0.79 HSP90AA1 (0.41) ALDH1A1PTPN1CA2GABRA1GABRB2
Diorcinol SCHEMBL28744720 0.78 ALDH1A1 (0.60) ALDH1A1PTPN1POLBHCAR1SMN1; SMN2
Diorcinol SCHEMBL29629136 0.78 ALDH1A1 (0.60) ALDH1A1PTPN1POLBHCAR1SMN1; SMN2
SCHEMBL13587591 0.77 PTGS1 (0.53) ALDH1A1POLBSMN1; SMN2CA2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127392-A1 ECKOL DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF Phloronol, Inc. 2018-05-10 US 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-20180127392-A1 ECKOL DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF MGLL, PNLIP, ECHS1 ALDH1A1 1648/4885PTPN1 3594/4885POLB 1792/4885

“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.