SCHEMBL4568296

SCHEMBL4568296

COc1cccc(-c2cc3ccc(C4CC4)cc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL29737278 0.78 RAB9A (0.71) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL28208371 0.78 RAB9A (0.71) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL3009057 0.75 KDM4E (0.79) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL12291102 0.74 HTR2C (0.53) HTR2C
SCHEMBL4568281 0.74 CYP19A1 (0.61) KDM4ENPC1MAPTRAB9ACDK5
SCHEMBL3699661 0.73 KDM4E (0.77) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL4568277 0.72 PTGS1 (0.42) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL16720367 0.72 KDM4E (0.50) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL1515134 0.72 HTR2C (0.77) HTR2C
SCHEMBL30997824 0.72 HTR2C (0.77) HTR2C

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-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 HTR2C 201/4885KDM4E 3521/4885NPC1 1150/4885

“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.