SCHEMBL21628763

SCHEMBL21628763

CCCCc1ccc(Oc2ncc(C(=O)N(C)C)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RARB P10826 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL21628577 0.97 PLA2G4A (0.45) PLA2G4AALDH1A1HPGDSMN1; SMN2LPAR1
SCHEMBL21628638 0.96 PLA2G4A (0.46) PLA2G4ATRPV1RARB
SCHEMBL21628586 0.93 ALDH1A1 (0.41) PLA2G4AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL21628376 0.89 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL21628425 0.87 RARB (0.48) PLA2G4AALDH1A1SMN1; SMN2LPAR1LPAR5
SCHEMBL21628767 0.86 ICAM1 (0.44) PLA2G4AALDH1A1RARBKDM4EMEN1
SCHEMBL21628713 0.85 MDH1 (0.48) ALDH1A1SMN1; SMN2LPAR1LPAR5TRPV1
SCHEMBL21628665 0.84 SMPD1 (0.47) ALDH1A1SMN1; SMN2TRPV1NFKB1
SCHEMBL21628715 0.84 MAOB (0.44) PLA2G4AALDH1A1RARBLMNACYP1A2
SCHEMBL21628886 0.84 RARB (0.53) PLA2G4AALDH1A1SMN1; SMN2RARBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885ALDH1A1 717/4885HPGD 2579/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885ALDH1A1 717/4885HPGD 2579/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLA2G4A 4706/4885ALDH1A1 900/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885ALDH1A1 717/4885HPGD 2579/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLA2G4A 4521/4885ALDH1A1 929/4885HPGD 3694/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885ALDH1A1 717/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885ALDH1A1 717/4885HPGD 2579/4885

“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.