SCHEMBL4568385

SCHEMBL4568385

CCC(C)(C)c1cc2ccc(OC)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CA2 P00918 1/20 0.47
FLT3 P36888 3/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 1/20 0.43
HSD17B10 Q99714 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2E1 P05181 3/20 0.42
CYP3A4 P08684 3/20 0.42

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
SCHEMBL4014895 0.83 MEN1 (0.53) KMT2AMEN1POLBMAPK1CA2
SCHEMBL12045263 0.75 KDM4E (0.46) KMT2AMEN1MAPK1FLT3HSD17B10
SCHEMBL5240839 0.73 MTNR1A (0.57) KMT2AMEN1POLBMAPK1CA2
SCHEMBL3715211 0.73 ALDH1A1 (0.49) KMT2AMEN1POLBPDGFRBPDGFRA
SCHEMBL19335080 0.72 ALDH1A1 (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL13262555 0.71 CYP1A2 (0.48) MAPK1KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL23932577 0.71 CA2 (0.56) KMT2AMEN1POLBMAPK1CA2
SCHEMBL435522 0.71 AXL (0.72) KMT2AMEN1POLBMAPK1CA2
SCHEMBL4316072 0.70 AXL (0.66) KMT2AMEN1POLBCA2FLT3
SCHEMBL26675902 0.69 CA2 (0.54) KMT2AMEN1POLBMAPK1CA2

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-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KMT2A 2056/4885MEN1 2993/4885POLB 4054/4885

“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.