SCHEMBL17784332

SCHEMBL17784332

COc1cc(CN(C(=O)O)[C@H]2CC/C=C/CC[C@@H]2N)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17784333 1.00 POLB (0.42) POLBTHRBGAAL3MBTL1MEN1
SCHEMBL17784334 1.00 POLB (0.42) POLBTHRBGAAL3MBTL1MEN1
SCHEMBL17784331 1.00 POLB (0.42) POLBTHRBGAAL3MBTL1MEN1
SCHEMBL8531037 0.70 ALDH1A1 (0.47) POLBTHRBGAAL3MBTL1SIGMAR1
SCHEMBL17190516 0.70 SMN1; SMN2 (0.43) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL17190503 0.70 SMN1; SMN2 (0.43) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL17784327 0.67 MAPT (0.39) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8421338 0.66 PTGS2 (0.48) POLBMEN1KMT2ATP53AOC3
SCHEMBL2521501 0.66 CTSD (0.49) GAAL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL1766139 0.66 CTSD (0.49) GAAL3MBTL1MEN1KMT2AKDM4E

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-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — 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-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS POLB 2540/4885THRB 886/4885GAA 270/4885

“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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