SCHEMBL5447652

SCHEMBL5447652

COc1nc2ccccc2cc1-c1cc2cc(OC(C)OC)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
KDR P35968 2/20 0.43
PDE10A Q9Y233 1/20 0.43
HDAC3 O15379 10/20 0.42
HDAC1 Q13547 10/20 0.42
ITK Q08881 2/20 0.42
HDAC2 Q92769 7/20 0.41
HDAC8 Q9BY41 6/20 0.41
CYP2C9 P11712 5/20 0.41
NR1I2 O75469 3/20 0.41
AURKA O14965 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL5439032 0.87 KDR (0.43) KDM4EMAPTRAB9AMEN1NPC1
SCHEMBL5480000 0.84 KDR (0.42) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL5447656 0.81 KDR (0.57) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL5442086 0.81 BTK (0.50) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL4884350 0.78 HTT (0.49) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL4884627 0.77 BTK (0.52) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL4888644 0.77 BTK (0.46) BTKKDM4EMAPTRAB9AMEN1
SCHEMBL5480003 0.77 KDR (0.67) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL14269691 0.72 CHEK1 (0.54) KDR
SCHEMBL5443779 0.71 CHEK1 (0.46) BTK

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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US claimed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles IDO1, IDO2, TPH1 BTK 2364/4885KDM4E 316/4885MAPT 2911/4885

“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.