SCHEMBL14378053

SCHEMBL14378053

C=CC[C@]1(C)OCCN(O)C1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL22007658 0.88 — —
SCHEMBL22450108 0.82 KDM4E (0.32) KDM4ELMNAPOLB
SCHEMBL14554860 0.71 POLB (0.33) POLB
SCHEMBL14378065 0.70 — —
SCHEMBL14378057 0.69 POLB (0.32) POLB
SCHEMBL14378059 0.68 — —
SCHEMBL14378025 0.68 POLB (0.33) POLB
SCHEMBL21658740 0.67 MMP9 (0.31) —
SCHEMBL14378017 0.67 MMP9 (0.31) —
SCHEMBL14554849 0.65 ALDH1A1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155592-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-05-27 — — US disclosed
EP-3712140-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS California Institute of Technology (US) 2020-09-23 — — EP disclosed
US-10343996-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-09 — — US disclosed
US-10035769-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-07-31 — — US disclosed
US-10035769-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-07-31 — — US disclosed
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 — — US disclosed
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 — — US disclosed
US-8822679-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-02 — — US disclosed
US-8822679-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-02 — — US disclosed
US-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-10 — — US disclosed
US-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-10 — — US disclosed
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-10 — — US disclosed
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-10 — — US disclosed
WO-2012178129-A2 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-12-27 — — 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 (6 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-20130267699-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB TSHR 4188/4885KDM4E 650/4885LMNA 2321/4885
US-20210155592-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB TSHR 4188/4885KDM4E 650/4885LMNA 2321/4885
US-10343996-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB TSHR 4188/4885KDM4E 650/4885LMNA 2321/4885
US-10035769-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB TSHR 4188/4885KDM4E 650/4885LMNA 2321/4885
US-20130012701-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS PRMT9, AFF1, PRMT1 TSHR 1822/4885KDM4E 304/4885LMNA 2955/4885
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB TSHR 4188/4885KDM4E 650/4885LMNA 2321/4885

“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.

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