SCHEMBL6835287

SCHEMBL6835287

CCC(=O)OC(=O)OOC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SOAT1 P35610 1/20 0.36
TSHR P16473 3/20 0.33
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL445066 0.80
SCHEMBL6833860 0.80 ALDH1A1 (0.45) ALDH1A1SOAT1TSHRNAAATDP1
SCHEMBL30483510 0.78
SCHEMBL31285514 0.78
Methoxymethane SCHEMBL5320316 0.78 ALDH1A1 (0.39) ALDH1A1SOAT1TSHRNAAATDP1
SCHEMBL8746870 0.78
SCHEMBL28651698 0.78
SCHEMBL10601011 0.78
SCHEMBL5356854 0.77 ALDH1A1 (0.43) ALDH1A1SOAT1TSHRNAAATDP1
SCHEMBL9276 0.73

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 1043/4885SOAT1 1282/4885TSHR 3981/4885

“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.