SCHEMBL6835002

SCHEMBL6835002

CCCC(=O)CC(=O)Oc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
PGR P06401 1/20 0.56
GAA P10253 1/20 0.56
PTGS1 P23219 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
OGG1 O15527 1/20 0.46
HTR1B P28222 1/20 0.46
EPHX1 P07099 1/20 0.44

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
SCHEMBL447135 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29373398 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27615461 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27634502 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10347205 0.85 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7749745 0.83 MEN1 (0.61) ALDH1A1HSD17B10PGRGAAPTGS1
Acetic Acid SCHEMBL8010751 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28117638 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29609999 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL448000 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1

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 1043/4885HSD17B10 279/4885PGR 2782/4885

“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.