SCHEMBL19940357

SCHEMBL19940357

C#CCOc1ccc(C)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
GSTP1 P09211 1/20 0.47
MAOB P27338 8/20 0.46
MAOA P21397 5/20 0.46
CA12 O43570 6/20 0.45
CA4 P22748 6/20 0.45
CA9 Q16790 6/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ACHE P22303 1/20 0.41
MTNR1A P48039 2/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL386377 0.82 KDM4E (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL14183051 0.80 NQO1 (0.52) KDM4EALDH1A1TSHRCA12CA4
SCHEMBL15760670 0.80 L3MBTL1 (0.46) KDM4EALDH1A1GAACA12CA4
SCHEMBL17637582 0.78 L3MBTL1 (0.49) KDM4EALDH1A1GAACA12CA4
SCHEMBL21718941 0.77 KDM4E (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL15985610 0.77 KDM4E (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL15080749 0.77 KDM4E (0.52) KDM4EALDH1A1GLAGAATSHR
SCHEMBL12164863 0.77 CA12 (0.46) KDM4EALDH1A1TSHRMAOBMAOA
SCHEMBL26220087 0.76 MAPT (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL26736278 0.76 ALDH1A1 (0.48) KDM4EALDH1A1GLAGAATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 US disclosed
WO-2018041985-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2018-03-08 WO 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 (2 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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP KDM4E 4287/4885ALDH1A1 82/4885GLA 3327/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP KDM4E 4287/4885ALDH1A1 82/4885GLA 3327/4885

“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.