SCHEMBL18286480

SCHEMBL18286480

CN(C)c1ccc2c(-c3ccc(C(=O)C(C)(C)C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.60
▸ MEN1 O00255 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ ITPR1 Q14643 1/20 0.47
▸ GBA1 P04062 2/20 0.46
▸ CA14 Q9ULX7 1/20 0.45
▸ P2RY2 P41231 1/20 0.44
▸ HTR3A P46098 1/20 0.43
▸ SLC5A2 P31639 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ USP2 O75604 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL14681258 0.94 MEN1 (0.57) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL19787877 0.92 P2RY6 (0.71) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL10293759 0.91 P2RY6 (0.64) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL12716296 0.90 P2RY6 (0.62) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL22204520 0.89 P2RY6 (0.69) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL31756958 0.89 P2RY6 (0.69) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14049043 0.87 P2RY6 (0.67) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14263356 0.87 P2RY6 (0.60) P2RY6MEN1BLMKMT2ATHRB
Trifluoroacetic Acid SCHEMBL22204560 0.86 P2RY6 (0.62) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL15336458 0.86 P2RY6 (0.45) P2RY6MEN1BLMKMT2ATHRB

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-20170049911-A1 MULTICOLORED pH-ACTIVATABLE FLUORESCENCE NANOPLATFORM THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-23 — — US disclosed
US-9511152-B2 Multicolored pH-activatable fluorescence nanoplatform THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-12-06 — — 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-20170049911-A1 MULTICOLORED pH-ACTIVATABLE FLUORESCENCE NANOPLATFORM EEA1, NSF, VPS26B P2RY6 593/4885MEN1 1873/4885BLM 4361/4885

“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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