SCHEMBL4881053

SCHEMBL4881053

COc1ccc(-c2cc3ccccc3[nH]2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDR P35968 3/20 0.51
CHEK1 O14757 1/20 0.51
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
FLT3 P36888 2/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL31053137 1.00 KDM4E (0.63) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL7049328 0.85 KDM4E (0.72) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL11650959 0.85 RAB9A (0.63) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL27255945 0.84 FLT3 (0.55) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL10937804 0.81 MAPT (0.67) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL11478986 0.81 KDM4E (0.67) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL9469075 0.81 KDM4E (0.61) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL7066067 0.80 KDM4E (0.57) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL26847012 0.80 HPGD (0.67) KDM4EMAPTRAB9ANPC1MEN1
SCHEMBL31053082 0.80 FLT3 (0.57) KDM4EMAPTRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
US-4096112-A POLYVINYL CHLORIDE LABAZ (FR) 1978-06-20 US disclosed
US-4024155-A 2-(3'-Methoxy-4'-hydroxy-phenol)-indole LABAZ (FR) 1977-05-17 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN KDM4E 3829/4885MAPT 4661/4885RAB9A 444/4885

“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.