SCHEMBL6177617

SCHEMBL6177617

COc1ccc(CC2(OC(C)=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
LDHA P00338 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
F2RL1 P55085 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41

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
SCHEMBL20959847 0.75 CTSK (0.52) LMNAALDH1A1
SCHEMBL6631739 0.74 ALDH1A1 (0.41) SMN1; SMN2HTTPOLBALDH1A1KMT2A
SCHEMBL2200899 0.73 ALDH1A1 (0.50) SMN1; SMN2HTTLDHALMNAPOLB
SCHEMBL6627421 0.73 TSHR (0.42) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28914518 0.72 IDO1 (0.47) ALDH1A1
SCHEMBL13203916 0.71 ATM (0.43) SMN1; SMN2POLBALDH1A1KMT2ACYP3A4
SCHEMBL6626906 0.71 ALDH1A1 (0.48) SMN1; SMN2HTTLDHALMNAPOLB
SCHEMBL6627416 0.70 ITGB1 (0.47) SMN1; SMN2LDHALMNAPOLBALDH1A1
SCHEMBL8355738 0.70 ALDH1A1 (0.47) SMN1; SMN2HTTLDHALMNAPOLB
SCHEMBL8586015 0.69 ALDH1A1 (0.52) SMN1; SMN2HTTLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR SMN1; SMN2 2566/4885HTT 4663/4885LDHA 3911/4885

“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.