SCHEMBL4568338

SCHEMBL4568338

CCOc1cc2[nH]c(-c3ccccc3)c(C(O)c3cccc(C(=O)OC)n3)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
GRM5 P41594 1/20 0.38
PDE10A Q9Y233 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GABRP O00591 3/20 0.37
GABRD O14764 3/20 0.37
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRA4 P48169 3/20 0.37

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
SCHEMBL4568346 0.93 GRM5 (0.38) MAPTGRM5PDE10AMRGPRX4TP53
SCHEMBL3714696 0.91 MAPT (0.43) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL4568334 0.91 MAPT (0.39) MAPTGRM5ALDH1A1LMNAKDM4E
SCHEMBL4568343 0.89 TUBB4A (0.38) MAPTGRM5PDE10AMRGPRX4ALDH1A1
SCHEMBL15998657 0.87 KDM4E (0.39) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL4568313 0.86 PDE3B (0.46) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL4568321 0.86 MAPT (0.44) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL4568336 0.85 GRM5 (0.38) MAPTGRM5PDE10AALDH1A1LMNA
SCHEMBL4568339 0.83 TUBB4A (0.41) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4568337 0.82 GRM5 (0.38) GRM5

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 MAPT 3199/4885GRM5 534/4885PDE10A 2672/4885

“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.