SCHEMBL19925957

SCHEMBL19925957

COC(=O)C(C(C)=O)c1ccc(OCc2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ FFAR1 O14842 1/20 0.45
▸ CYP19A1 P11511 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CTSV O60911 3/20 0.42
▸ CTSL P07711 3/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL29875159 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL29875151 0.85 MTNR1A (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL19926108 0.85 MTNR1A (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL19926023 0.79 FFAR1 (0.56) ALDH1A1MAPTSMN1; SMN2HTTFFAR1
SCHEMBL19926028 0.78 MAPT (0.49) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL29875283 0.78 MAPT (0.49) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL30665930 0.77 TTR (0.54) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL1736331 0.77 TTR (0.54) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL1733997 0.76 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNATP53
SCHEMBL7825236 0.76 CYP19A1 (0.62) ALDH1A1MAPTHPGDLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 — — US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 — — CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 — — US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 — — US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 — — US disclosed
EP-3507290-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES Agios Pharmaceuticals, Inc. (US) 2019-07-10 — — EP disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 — — US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 — — US disclosed
WO-2018045071-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 — — WO 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 (5 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885MAPT 1914/4885HPGD 2425/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALDH1A1 352/4885MAPT 1914/4885HPGD 2425/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885MAPT 1914/4885HPGD 2425/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALDH1A1 352/4885MAPT 1914/4885HPGD 2425/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885MAPT 1914/4885HPGD 2425/4885

“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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