SCHEMBL18236136

SCHEMBL18236136

CC1C[C@@H](CCOCc2ccccc2)OC1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NAAA Q02083 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
FASN P49327 1/20 0.38
TSHR P16473 1/20 0.38
AGTR2 P50052 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
CYP3A4 P08684 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL15084444 0.86 LMNA (0.56) LMNANAAATSHRPTPN1CDC25B
SCHEMBL22569916 0.86 LMNA (0.56) LMNANAAATSHRPTPN1CDC25B
SCHEMBL18227616 0.82 LMNA (0.43) LMNANAAAMEN1KMT2APDE4D
SCHEMBL18227562 0.82 LMNA (0.43) LMNANAAAMEN1KMT2APDE4D
SCHEMBL1459289 0.78 LMNA (0.49) LMNANAAAMEN1KMT2APDE4D
SCHEMBL1459291 0.78 LMNA (0.49) LMNANAAAMEN1KMT2APDE4D
SCHEMBL19666233 0.76 MEN1 (0.46) LMNANAAAMEN1KMT2APDE4D
SCHEMBL19666079 0.76 MEN1 (0.46) LMNANAAAMEN1KMT2APDE4D
SCHEMBL16464737 0.74 LMNA (0.46) LMNANAAAMEN1KMT2APDE4D
SCHEMBL18227495 0.74 LMNA (0.46) LMNANAAAMEN1KMT2APDE4D

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
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2022-05-05 US disclosed
US-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 US disclosed
US-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 US disclosed
WO-2016183150-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-11-17 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 (2 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-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 LMNA 2909/4885NAAA 3636/4885MEN1 4868/4885
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 LMNA 2368/4885NAAA 3480/4885MEN1 4844/4885

“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.