SCHEMBL22319906

SCHEMBL22319906

COC(=O)/C=C/c1cccc2c1CCN(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 4/20 0.40
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HPGD P15428 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28245906 0.86 MAPT (0.43) ABHD6MAPTHTTMEN1KMT2A
SCHEMBL25381191 0.85 ESR2 (0.46) ABHD6MAPTKDM4E
SCHEMBL30678913 0.85 ESR2 (0.46) ABHD6MAPTKDM4E
SCHEMBL28739008 0.83 HPGD (0.48) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31198110 0.79 MEN1 (0.43) ABHD6MAPTALDH1A1HTTMEN1
SCHEMBL5774668 0.79 MEN1 (0.43) ABHD6MAPTALDH1A1HTTMEN1
SCHEMBL22319887 0.79 ABHD6 (0.41) ABHD6MAPTALDH1A1HTTMEN1
SCHEMBL3105348 0.78 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3105338 0.78 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28739242 0.77 ALDH1A1 (0.44) MAPTALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 — — US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 — — EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 — — 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 (2 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX ABHD6 2427/4885MAPT 3294/4885ALDH1A1 1066/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 ABHD6 2444/4885MAPT 3590/4885ALDH1A1 1013/4885

“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.

Send feedback