SCHEMBL23646576

SCHEMBL23646576

CCC(NN)(C(=O)O)C(C)c1ccc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
HSP90AB1 P08238 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.34
CA12 O43570 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
SCHEMBL23646544 0.89 HSD17B10 (0.38) TYRALDH1A1GFERHSP90AB1HSD17B10
SCHEMBL23646717 0.85 ALOX15 (0.38) ALDH1A1HSD17B10KDM4ELMNACYP1A2
SCHEMBL23646529 0.82 KDM4E (0.39) ALDH1A1HSD17B10KDM4ELMNACYP1A2
SCHEMBL23646590 0.80 BLM (0.37) ALDH1A1GFERHSD17B10LMNACYP1A2
SCHEMBL23646644 0.79 TYR (0.43) TYRALDH1A1GFERHSD17B10KDM4E
SCHEMBL23646614 0.78 HIF1A (0.44) ALDH1A1KDM4ELMNA
SCHEMBL23646549 0.78 BCHE (0.37) TYRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL23646695 0.76 KDM4E (0.38) ALDH1A1GFERHSD17B10KDM4ELMNA
SCHEMBL23646548 0.68 ALDH1A1 (0.40) TYRALDH1A1GFERHSD17B10KDM4E
SCHEMBL28761430 0.68 BLM (0.46) TYRALDH1A1GFERHSP90AB1HSD17B10

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 TYR 1042/4885ALDH1A1 1625/4885GFER 3659/4885

“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.