SCHEMBL6836768

SCHEMBL6836768

CCC(=O)OP(=O)(OOC)OOC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NAAA Q02083 1/20 0.30

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
SCHEMBL939429 0.83 ALDH1A1 (0.39) ALDH1A1NAAA
SCHEMBL8707556 0.81 ALDH1A1 (0.35) ALDH1A1NAAA
SCHEMBL1563399 0.74 TSHR (0.55) ALDH1A1
SCHEMBL28822581 0.74 TSHR (0.48) ALDH1A1
SCHEMBL29210831 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4812428 0.72 HTT (0.34)
SCHEMBL17956591 0.71 CYP3A4 (0.43) ALDH1A1NAAA
SCHEMBL27909864 0.71 CTSA (0.36) ALDH1A1
SCHEMBL27951381 0.71 FDPS (0.38) ALDH1A1
SCHEMBL11506056 0.70 ALDH1A1 (0.38) ALDH1A1NAAA

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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-06-03 US disclosed
EP-1352907-A1 PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2003-10-15 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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof CALR, CYP51A1, CYP4A11 ALDH1A1 1043/4885NAAA 2489/4885

“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.