SCHEMBL6652465

SCHEMBL6652465

O=C(O)C(O)C(C(=O)O)C1CCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.36
METAP2 P50579 3/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6653904 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1TP53DPP4
SCHEMBL6651042 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1TP53DPP4
SCHEMBL6651921 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1TP53DPP4
SCHEMBL6650528 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1TP53DPP4
SCHEMBL15668891 0.85 EPHX1 (0.48) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL7120046 0.85 EPHX1 (0.48) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL27957328 0.84 EPHX1 (0.43) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL30093936 0.83 EPHX1 (0.44) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL16586374 0.80 EPHX1 (0.40) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL10599727 0.80 EPHX1 (0.40) EPHX1ALDH1A1TP53DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132369-B1 Malic acid and oxalacetic acid derivatives DAICEL CHEM (JP) 2004-06-09 EP disclosed
US-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20010056120-A1 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-27 US disclosed
EP-1132369-A1 Malic acid and oxalacetic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20010056120-A1 Malic acid and oxalacetic acid derivatives ME1, ME3, MLYCD EPHX1 3048/4885TSHR 3998/4885ALDH1A1 107/4885

“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.