SCHEMBL22960752

SCHEMBL22960752

COc1cc(OC)cc(B(O)OCCOc2cc(F)cc(B(O)O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.36
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
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAOB P27338 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL447912 0.81 ENPP2 (0.52) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31243807 0.81 ENPP2 (0.52) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16065807 0.75 LTA4H (0.39) CA1CA2
SCHEMBL29953751 0.75 ENPP2 (0.46) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29952210 0.73 AHR (0.51) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1979081 0.73 FGFR1 (0.41) ENPP2MAOB
SCHEMBL23364624 0.73 ENPP2 (0.31) ENPP2
SCHEMBL8830 0.72 ENPP2 (0.61) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31437777 0.71 ENPP2 (0.48) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23364822 0.69 PDK2 (0.34) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof Chengdu Henghao Investment Co. Limited (CN) 2021-02-11 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof AIFM2, FECH, GPX4 ENPP2 3907/4885TUBB4A 2696/4885TUBB 4057/4885

“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.