SCHEMBL940698

SCHEMBL940698

C=CCOCCCc1ccc2c(c1)c(=O)[nH]n2C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL940726 0.82 CYP4A11 (0.45) LMNAGABRA1GABRB2CYP4F2CYP4A11
SCHEMBL941287 0.75 DAO (0.37) —
SCHEMBL8252276 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EPKMLMNA
SCHEMBL5113974 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBGAAHPGD
SCHEMBL12913005 0.66 CYP4A11 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4173192 0.66 SMN1; SMN2 (0.49) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL940695 0.65 CYP4A11 (0.41) ALDH1A1KDM4EPOLBPKMKMT2A
SCHEMBL15248048 0.62 TNKS2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19311625 0.62 THRB (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4651656 0.61 THRB (0.41) KMT2AMEN1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776345-B1 Method of preparing N2-functionalised indazolinone derivatives UNIV ST ANDREWS (GB) 2013-02-13 — — EP disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — 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 (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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 TUBB4A 1398/4885TUBB 1651/4885TUBA3C 1178/4885

“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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