SCHEMBL25835368

SCHEMBL25835368

O=C1c2cccc(OCc3ccccc3)c2C(=O)[C@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.47
PTGER4 P35408 6/20 0.47
PTGER3 P43115 6/20 0.47
PTGER2 P43116 6/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MCL1 Q07820 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
LIPE Q05469 1/20 0.43
SRD5A2 P31213 1/20 0.43
IDO1 P14902 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL25834704 1.00 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL25834375 0.89 MAPT (0.45) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL25835377 0.81 MAOA (0.46) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL16072720 0.78 KCNA3 (0.58) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9173435 0.76 KCNA3 (0.56) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9754264 0.75 KCNA3 (0.63) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8216313 0.75 MAPT (0.69) MAPTMAPK1TDP1L3MBTL1ALPG
SCHEMBL5838519 0.74 MAPT (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL30660808 0.74 MAPT (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL25834309 0.74 TOP1 (0.56) PTGER1PTGER4PTGER3PTGER2RXRA

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 PTGER1 3718/4885PTGER4 3572/4885PTGER3 3870/4885

“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.