SCHEMBL23308929

SCHEMBL23308929

C=C/C=C\C=C(/C)N(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.43
▸ PHGDH O43175 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL14535097 0.87 FAAH (0.47) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL23991849 0.87 FAAH (0.47) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL18533863 0.84 NPSR1 (0.38) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL18533882 0.84 MEN1 (0.32) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL26243950 0.82 FAAH (0.32) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL24621420 0.81 FAAH (0.46) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL12700597 0.79 FAAH (0.41) FAAHPHGDHMGLLLMNAL3MBTL1
SCHEMBL20385022 0.78 TRPM8 (0.42) LMNAL3MBTL1CA12CA9KMT2A
SCHEMBL12811441 0.77 MAPT (0.33) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20169266 0.76 ALDH1A1 (0.38) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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-20210122773-A1 HETEROATOMIC-BASED HOLE-TRANSPORT MATERIALS SIGMA-ALDRICH CO. LLC 2021-04-29 — — 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-20210122773-A1 HETEROATOMIC-BASED HOLE-TRANSPORT MATERIALS SLC43A1, SLC7A5, NES FAAH 4690/4885PHGDH 3325/4885MGLL 4823/4885

“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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