SCHEMBL334897

SCHEMBL334897

c1ccc(COCCCC2CO2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX2 P34913 1/20 0.40
PDE4D Q08499 1/20 0.40
LTA4H P09960 1/20 0.40
TEAD3 Q99594 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL15516358 0.95 MEN1 (0.62) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL12903278 0.95 MEN1 (0.62) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL334794 0.95 MEN1 (0.62) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL8478562 0.93 MEN1 (0.60) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL31549217 0.93 MEN1 (0.60) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL334304 0.89 MEN1 (0.68) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL2186409 0.89 MEN1 (0.68) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL2186406 0.89 MEN1 (0.68) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL29606950 0.89 MEN1 (0.68) MEN1KMT2ATSHRTAAR1LMNA
SCHEMBL19559214 0.88 MEN1 (0.50) MEN1KMT2ATSHRTAAR1LMNA

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 11 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-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
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
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
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
US-4021454-A ALLYL CHLORIDE, HYDROCARBON HYDROPEROXIDE IN SILICON, TANTALUM OXIDE-HYDROXIDE SHELL OIL COMPANY (US) 1977-05-03 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 (3 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 MEN1 4868/4885KMT2A 2787/4885TSHR 354/4885
US-20220133713-A1 SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 MEN1 4844/4885KMT2A 2208/4885TSHR 323/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 MEN1 2456/4885KMT2A 939/4885TSHR 1567/4885

“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.