SCHEMBL25508690

SCHEMBL25508690

COc1cc(OC)cc(C(=O)C(=O)c2cc(OC)cc(C(=O)O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
KDM4E B2RXH2 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PTGS2 P35354 1/20 0.47
LMNA P02545 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.93 RXRA (0.64) RXRACA1CA2KDM4ECA12
SCHEMBL39734 0.93 CA1 (0.60) RXRACA1CA2CES2CES1
SCHEMBL25508535 0.92 TPMT (0.57) RXRACA1CA2CES2CES1
3,5-Dimethoxybenzoic Acid SCHEMBL5668197 0.91 RXRA (0.62) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL20592058 0.91 RXRA (0.62) RXRACA1CA2KDM4ECA12
Hydrochloric Acid SCHEMBL3361588 0.91 CA1 (0.58) RXRACA1CA2CES2CES1
Hydrochloric Acid SCHEMBL19118500 0.91 CA1 (0.58) RXRACA1CA2CES2CES1
3,5-Dimethoxybenzoic Acid SCHEMBL9426765 0.89 RXRA (0.60) RXRACA1CA2KDM4ECA12
SCHEMBL25508540 0.89 CES2 (0.64) RXRACES2CES1KDM4EALDH1A1
SCHEMBL29128751 0.85 RXRA (0.72) RXRACA1CA2KDM4ECA12

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-20230159572-A1 ISOPAUCIFLORAL F PHOSPHATE COMPOUND AND PHARMACEUTICAL USE THEREOF FUDAN UNIVERSITY (CN) 2023-05-25 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-20230159572-A1 ISOPAUCIFLORAL F PHOSPHATE COMPOUND AND PHARMACEUTICAL USE THEREOF INPP5A, INPP5B, ALPP RXRA 1944/4885CA1 2662/4885CA2 383/4885

“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.