SCHEMBL23228809

SCHEMBL23228809

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(=O)N(C)C)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LPAR1 Q92633 5/20 0.36
▸ LPAR5 Q9H1C0 5/20 0.36
▸ IGFBP3 P17936 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL21656937 0.89 SLC6A2 (0.45) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL23228801 0.88 RAB9A (0.45) LPAR1LPAR5IGFBP3MAPT
SCHEMBL23228767 0.87 PARP10 (0.44) SLC6A2SLC6A4SMN1; SMN2IGFBP3KDM4E
SCHEMBL23228792 0.86 ALDH1A1 (0.44) ALDH1A1HPGDIGFBP3KDM4EMAPT
SCHEMBL23228794 0.85 HPGD (0.56) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL23228785 0.85 CA12 (0.37) ALDH1A1HPGDIGFBP3KDM4EMAPT
SCHEMBL21656973 0.85 HDAC1 (0.42) SLC6A2SLC6A4KDM4EMAPT
SCHEMBL23228800 0.85 SLC6A2 (0.44) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL23228802 0.83 SMN1; SMN2 (0.35) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL21628755 0.82 SLC6A2 (0.51) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2

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-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885ALDH1A1 717/4885

“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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