SCHEMBL11533258

SCHEMBL11533258

CCC(Cc1ccc(O)c(O)c1)(NN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MAPT P10636 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
HPGD P15428 4/20 0.65
POLB P06746 3/20 0.65
ALOX15 P16050 3/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
THPO P40225 2/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
BLM P54132 3/20 0.57
GAA P10253 2/20 0.57
APEX1 P27695 2/20 0.57
PMP22 Q01453 2/20 0.57
USP2 O75604 2/20 0.57

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
SCHEMBL11534896 0.87 HSD17B10 (0.60) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL23646494 0.85 KDM4E (0.46) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL23646500 0.83 BLM (0.54) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL23646605 0.81 CYP1A2 (0.45) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL12608355 0.80 HSD17B10 (0.48) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL12608299 0.80 MAPT (0.48) HSD17B10KDM4EMAPTTDP1HPGD
SCHEMBL23646371 0.79 TDP1 (0.42) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL8407333 0.79 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL5051647 0.79 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD
Carbidopa Anhydrous SCHEMBL2688295 0.79 HSD17B10 (1.00) HSD17B10KDM4EMAPTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS TUFTS MEDICAL CENTER, INC. 2021-07-22 US claimed
US-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS TUFTS MEDICAL CENTER, INC. 2021-07-22 US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 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-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS GPR119, PC, NLN HSD17B10 381/4885KDM4E 3272/4885MAPT 630/4885

“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.