SCHEMBL10101848

SCHEMBL10101848

CCC(O)c1ccc(C)c(OC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
BCHE P06276 5/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.38
SLC22A3 O75751 1/20 0.38
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYR P14679 1/20 0.35
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL25180344 0.85 ACHE (0.41) ACHEBCHECYP3A4TSHRNFKB1
SCHEMBL10101859 0.84 UGT2B7 (0.41) ACHEBCHESMN1; SMN2TRPA1PTGS1
SCHEMBL26092654 0.82 TSHR (0.53) ACHEBCHELMNACYP3A4TSHR
SCHEMBL662935 0.81 CYP3A4 (0.49) LMNACYP3A4TSHRNFKB1SLC22A3
SCHEMBL12160695 0.80 LMNA (0.52) ACHEBCHELMNAHTTSMN1; SMN2
SCHEMBL6055162 0.74 LMNA (0.52) LMNA
SCHEMBL12916560 0.74 TRPA1 (0.59) LMNACYP3A4TSHRNFKB1BLM
SCHEMBL10102164 0.73 ACHE (0.36) ACHEBCHESMN1; SMN2
SCHEMBL17805387 0.73 PKM (0.43) LMNASMN1; SMN2TRPA1
SCHEMBL20202580 0.73 LMNA (0.45) LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 ACHE 2707/4885BCHE 2145/4885LMNA 2636/4885

“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.