SCHEMBL23646597

SCHEMBL23646597

CC(c1cc(O)c(O)cc1O)C(C)(NN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CYP1A2 P05177 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
CYP3A4 P08684 3/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
THPO P40225 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.35
USP2 O75604 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
APEX1 P27695 2/20 0.33

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
SCHEMBL23646548 0.83 ALDH1A1 (0.40) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646644 0.83 TYR (0.43) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646595 0.80 HSD17B10 (0.40) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646436 0.78 TDP1 (0.48) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646641 0.78 CYP1A2 (0.41) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646501 0.77 KDM4E (0.37) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646717 0.77 ALOX15 (0.38) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646555 0.77 LMNA (0.38) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646560 0.72 BLM (0.40) MAPTCYP1A2KDM4EALDH1A1POLB
SCHEMBL23646694 0.71 HIF1A (0.47) KDM4EALDH1A1LMNAGAABLM

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-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

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 MAPT 630/4885CYP1A2 128/4885KDM4E 3272/4885

“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.