SCHEMBL29792964

SCHEMBL29792964

Cc1ccccc1C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c1ccccc1C.Cc1ccccc1C(=O)[C@@](O)(C(=O)O)[C@](O)(C(=O)O)C(=O)c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
KMT2A Q03164 3/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MYC P01106 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 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
SCHEMBL30281296 1.00 HPGD (0.48) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL697168 1.00 HPGD (0.48) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL29424792 1.00 HPGD (0.48) HPGDKMT2AERCC5FEN1TSHR
Water SCHEMBL8139522 0.98 HPGD (0.47) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL6835363 0.84 HPGD (0.42) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL6835963 0.84 HPGD (0.42) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL10455866 0.81 HPGD (0.46) HPGDKMT2AERCC5FEN1MYC
SCHEMBL19278858 0.81 HPGD (0.46) HPGDKMT2AERCC5FEN1MYC
SCHEMBL27861393 0.80 HPGD (0.46) HPGDKMT2AERCC5FEN1TSHR
SCHEMBL8193953 0.80 ERCC5 (0.45) HPGDKMT2AERCC5FEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440882-B2 Process for the preparation of dexmethyl phenidate hydrochloride HARMAN FINOCHEM LIMITED (IN) 2022-09-13 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-11440882-B2 Process for the preparation of dexmethyl phenidate hydrochloride SLC6A3, COMT, DAO HPGD 3769/4885KMT2A 759/4885ERCC5 4719/4885

“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.