SCHEMBL21166757

SCHEMBL21166757

C=CCC(C)(CC)c1ccc(Oc2ccc(N)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ POLB P06746 2/20 0.61
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20953495 0.86 KDM4E (0.59) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL20470668 0.84 MAPT (0.59) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL24091799 0.84 KDM4E (0.66) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL15055437 0.80 KDM4E (0.73) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL31225411 0.80 KDM4E (0.73) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL21657069 0.80 LMNA (0.56) MAPTALDH1A1MAPK1LMNAGFER
SCHEMBL21657013 0.79 LMNA (0.42) KDM4ERAB9APOLBMAPTALDH1A1
Limantrafin SCHEMBL4638726 0.77 KDM4E (1.00) KDM4ERAB9APOLBMEN1KMT2A
Limantrafin SCHEMBL25340427 0.77 KDM4E (1.00) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL30601045 0.77 KDM4E (0.82) KDM4ERAB9APOLBMEN1KMT2A

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-11085918-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-08-10 — — US disclosed
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-07-18 — — 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 (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-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING NOTCH3, NOTCH1, NOTCH4 KDM4E 338/4885RAB9A 3388/4885POLB 3703/4885
US-11085918-B2 Method for identifying modulators of notch signaling NOTCH3, NOTCH1, NOTCH4 KDM4E 338/4885RAB9A 3388/4885POLB 3703/4885

“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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