SCHEMBL18874511

SCHEMBL18874511

CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.90
▸ MEN1 O00255 7/20 0.90
▸ KMT2A Q03164 7/20 0.90
▸ TUBB4A P04350 7/20 0.90
▸ TUBB P07437 7/20 0.90
▸ TUBA3C P0DPH7 7/20 0.90
▸ TUBA1B P68363 7/20 0.90
▸ TUBA4A P68366 7/20 0.90
▸ TUBB4B P68371 7/20 0.90
▸ TUBB3 Q13509 7/20 0.90
▸ TUBB2A Q13885 7/20 0.90
▸ TUBB8 Q3ZCM7 7/20 0.90
▸ TUBA3E Q6PEY2 7/20 0.90
▸ TUBA1A Q71U36 7/20 0.90
▸ TUBA1C Q9BQE3 7/20 0.90
▸ TUBB6 Q9BUF5 7/20 0.90
▸ TUBB2B Q9BVA1 7/20 0.90
▸ TUBB1 Q9H4B7 7/20 0.90
▸ CYP3A4 P08684 6/20 0.90
▸ LMNA P02545 6/20 0.90

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
Vinblastine SCHEMBL4707820 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL13529121 0.95 TUBB4A (0.96) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22022258 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14445014 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL13279561 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL18613184 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14077137 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22450052 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14601228 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL13300979 0.95 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB

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 5 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
US-10906875-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-02 — — US disclosed
US-20200157049-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 — — US disclosed
US-10343996-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-09 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20210155592-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB MAPT 2101/4885MEN1 758/4885KMT2A 114/4885
US-10906875-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB MAPT 2101/4885MEN1 758/4885KMT2A 114/4885
US-10343996-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB MAPT 2101/4885MEN1 758/4885KMT2A 114/4885
US-20200157049-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB MAPT 2101/4885MEN1 758/4885KMT2A 114/4885
US-20170137382-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB MAPT 2101/4885MEN1 758/4885KMT2A 114/4885

“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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