SCHEMBL16706636

SCHEMBL16706636

Cc1ccc(-c2cc(C(=O)O)cc(C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 4/20 0.66
▸ ALPL P05186 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ADORA3 P0DMS8 5/20 0.49
▸ DHODH Q02127 1/20 0.48
▸ ADORA1 P30542 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ VCP P55072 1/20 0.45

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
SCHEMBL20346112 0.88 CTRC (0.61) CTRCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL476659 0.83 CTRC (0.62) CTRCALPLALDH1A1SMN1; SMN2KDM4E
SCHEMBL8908899 0.83 TPMT (0.50) CTRCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL16710006 0.83 ADORA3 (0.52) CTRCADORA3DHODH
SCHEMBL2259170 0.80 CTRC (0.58) CTRCALPLALDH1A1SMN1; SMN2KDM4E
SCHEMBL10918130 0.80 CTRC (1.00) CTRCALPLALDH1A1SMN1; SMN2KDM4E
SCHEMBL29408192 0.79 CTRC (0.48) CTRCALDH1A1KDM4EHPGDGAA
SCHEMBL22658051 0.79 CTRC (0.48) CTRCALDH1A1KDM4EHPGDGAA
SCHEMBL14919880 0.79 SCN9A (0.64) DHODHMCL1
SCHEMBL17689302 0.79 CTRC (0.57) CTRCALDH1A1KDM4EMAPTHPGD

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-9242938-B2 Glycine reuptake inhibitor and use thereof BEIJING MEDISAN TECHNOLOGY CO., LTD (CN) 2016-01-26 — — US disclosed
US-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO., LTD. (CN) 2015-05-14 — — 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-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF SLC6A2, SLC6A5, SLC6A4 CTRC 1271/4885ALPL 4310/4885ALDH1A1 1609/4885

“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.

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