SCHEMBL22327923

SCHEMBL22327923

COc1ccc(-c2cc(C(C)(C)C)n[nH]2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL10220242 0.81 RAB9A (0.63) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL1662318 0.79 MAPT (0.68) KDM4EHSD17B10MAPTKMT2AMEN1
SCHEMBL22327929 0.78 CDK1 (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6588583 0.78 DYRK1A (0.66) KDM4EHSD17B10MAPTKMT2AMEN1
SCHEMBL15033090 0.76 SMN1; SMN2 (0.59) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL20442996 0.76 ALDH1A1 (0.46) KDM4EHSD17B10MAPTKMT2AMEN1
SCHEMBL15425080 0.74 MAPT (0.58) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL15425096 0.74 MAPT (0.77) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL1608903 0.74 MAPT (0.65) KDM4EHSD17B10MAPTKMT2AMEN1
SCHEMBL22820479 0.73 TNIK (0.50) KMT2ASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 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 (2 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-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 KDM4E 4083/4885HSD17B10 3835/4885MAPT 502/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 KDM4E 3735/4885HSD17B10 4160/4885MAPT 454/4885

“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.