SCHEMBL21656937

SCHEMBL21656937

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LPAR1 Q92633 6/20 0.39
▸ LPAR5 Q9H1C0 6/20 0.39
▸ IGFBP3 P17936 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL23228809 0.89 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL21656871 0.89 RAB9A (0.44) LPAR1LPAR5IGFBP3
SCHEMBL21657031 0.88 PARP10 (0.46) SLC6A2SLC6A4LPAR1LPAR5IGFBP3
SCHEMBL21656908 0.87 ALDH1A1 (0.46) ALDH1A1HPGDLPAR1LPAR5KMT2A
SCHEMBL21656877 0.86 HPGD (0.55) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL21657024 0.86 ALDH1A1 (0.36) ALDH1A1HPGDLPAR1LPAR5
SCHEMBL21628755 0.84 SLC6A2 (0.51) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL21656657 0.83 PTGER4 (0.35) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL21628891 0.81 SLC6A2 (0.52) SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL20470550 0.79 RAB9A (0.42) SLC6A4ALDH1A1HPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — 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 (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-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A2 3104/4885SLC6A4 3517/4885ALDH1A1 900/4885
US-20200031763-A1 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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