SCHEMBL25508535

SCHEMBL25508535

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.57
RXRA P19793 1/20 0.51
HCAR1 Q9BXC0 1/20 0.50
CNR2 P34972 1/20 0.49
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
NPC1 O15118 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
SCHEMBL25508690 0.92 RXRA (0.58) RXRACES2CES1CA1CA2
SCHEMBL6738707 0.90 TPMT (0.64) TPMTRXRAHCAR1CNR2CES2
SCHEMBL39734 0.86 CA1 (0.60) TPMTRXRACES2CES1CA1
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.86 RXRA (0.64) RXRACA1CA2KDM4ECA12
Hydrochloric Acid SCHEMBL3361588 0.84 CA1 (0.58) TPMTRXRACES2CES1CA1
3,5-Dimethoxybenzoic Acid SCHEMBL20592058 0.84 RXRA (0.62) RXRACA1CA2KDM4ECA12
Hydrochloric Acid SCHEMBL19118500 0.84 CA1 (0.58) TPMTRXRACES2CES1CA1
3,5-Dimethoxybenzoic Acid SCHEMBL5668197 0.84 RXRA (0.62) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL9426765 0.82 RXRA (0.60) RXRACA1CA2KDM4ECA12
SCHEMBL25508540 0.82 CES2 (0.64) RXRACES2CES1KDM4ENPC1

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 TPMT 2506/4885RXRA 1944/4885HCAR1 1184/4885

“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.