SCHEMBL18934462

SCHEMBL18934462

CC(=O)c1cc(C(=O)O)ccc1C1=C2C=CC(O)C=C2Oc2cc(O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ YWHAG P61981 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD17B1 P14061 2/20 0.30
▸ KDM4C Q9H3R0 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
SCHEMBL20887111 0.88 MEN1 (0.34) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL22651668 0.86 HSD17B10 (0.31) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL22193121 0.84 HSD17B10 (0.47) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL23425343 0.82 MEN1 (0.37) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL12515067 0.77 CA1 (0.33) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL21319383 0.76 F2 (0.32) —
SCHEMBL23683711 0.74 MEN1 (0.31) MEN1KMT2A
SCHEMBL19117713 0.73 CYP2C9 (0.34) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL13657235 0.69 SOS1 (0.42) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL28787828 0.65 HSD17B10 (0.48) MEN1USP2POLBHSP90AA1HSP90AB1

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-20170157198-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2017-06-08 — — 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-20170157198-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 MEN1 951/4885USP2 2877/4885POLB 2446/4885

“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.

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