SCHEMBL17451506

SCHEMBL17451506

CCOC(=O)c1ccc(/C=C2\CSC/C(=C\c3ccc(CC)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.47
▸ F10 P00742 2/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 5/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL16111321 0.95 F2 (0.51) F2F10SMN1; SMN2ALDH1A1MAPT
SCHEMBL17451530 0.95 F2 (0.51) F2F10SMN1; SMN2ALDH1A1MAPT
SCHEMBL16111320 0.95 F2 (0.51) F2F10SMN1; SMN2ALDH1A1MAPT
SCHEMBL17451477 0.83 KMT2A (0.53) SMN1; SMN2MAPTKMT2AHPGDMEN1
SCHEMBL128190 0.76 CA1 (0.70) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL10394369 0.72 CA12 (0.51) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL15672816 0.71 CA1 (0.63) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL11504406 0.71 CYP1A2 (0.65) SMN1; SMN2MAPTKMT2AHPGDMEN1
SCHEMBL11504407 0.71 CYP1A2 (0.65) SMN1; SMN2MAPTKMT2AHPGDMEN1
SCHEMBL11291961 0.70 CA1 (0.61) SMN1; SMN2ALDH1A1MAPTHPGDLMNA

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-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-01-21 — — 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-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES NFKBIA, PCNA, MYC F2 3103/4885F10 3849/4885SMN1; SMN2 4256/4885

“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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