SCHEMBL23646604

SCHEMBL23646604

CCC(c1cc(O)ccc1O)C(C)(NN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 1/20 0.36
NR1I2 O75469 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 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
SCHEMBL23646595 0.85 HSD17B10 (0.40) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646548 0.82 ALDH1A1 (0.40) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646603 0.80 HSD17B10 (0.49) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646657 0.80 BCHE (0.41) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646519 0.78 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1LMNAKDM4E
SCHEMBL23646652 0.76 HKDC1 (0.40) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646644 0.73 TYR (0.43) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL23646544 0.73 HSD17B10 (0.38) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL27665666 0.71 HSD17B10 (0.44) HSD17B10CYP2C9ALDH1A1LMNAALOX15
SCHEMBL3460224 0.68 HSD17B10 (0.42) HSD17B10CYP2C9ALDH1A1LMNAALOX15

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 HSD17B10 381/4885CYP2C9 291/4885ALDH1A1 1625/4885

“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.