SCHEMBL17637686

SCHEMBL17637686

CCc1ccc(OC(=O)OCC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16192972 0.85 CA2 (0.48) CA2ALDH1A1TSHRHTR2APTGS2
SCHEMBL6897012 0.84 THRB (0.51) CA2ALDH1A1RAB9APTGS2SMN1; SMN2
SCHEMBL1788228 0.82 RAB9A (0.50) CA2ALDH1A1TSHRRAB9ARXRA
SCHEMBL6896573 0.82 THRB (0.57) ALDH1A1PPARAPTGS2
SCHEMBL6894515 0.82 THRB (0.57) ALDH1A1PPARAPTGS2
SCHEMBL12117284 0.82 THRB (0.57) ALDH1A1PPARAPTGS2
SCHEMBL47952 0.82 RAB9A (0.56) ALDH1A1RAB9APPARGPPARARXRA
SCHEMBL11170817 0.81 SMN1; SMN2 (0.50) CA2ALDH1A1TSHRRAB9ARXRA
SCHEMBL1791187 0.81 CA2 (0.47) CA2ALDH1A1TSHRHTR2A
SCHEMBL1790169 0.81 ALDH1A1 (0.55) CA2ALDH1A1TSHR

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-20160090351-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-31 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-20160090351-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES USP1, USP2, USP18 CA2 3999/4885ALDH1A1 3224/4885TSHR 3966/4885

“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.