SCHEMBL21628628

SCHEMBL21628628

CN(C)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.73
HPGD P15428 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK14 Q16539 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.46
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
MLYCD O95822 1/20 0.45
CYP1A1 P04798 1/20 0.44

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
SCHEMBL2745400 0.89 CES2 (0.59) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628557 0.87 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628748 0.87 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL20482414 0.85 HPGD (0.76) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628666 0.84 HPGD (0.65) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628444 0.83 HPGD (0.63) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628895 0.83 SLC6A4 (0.55) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21628386 0.83 LMNA (0.63) ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3368661 0.81 MAPT (0.70) HPGDSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL15577869 0.81 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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 ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885HPGD 2313/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR ALDH1A1 929/4885HPGD 3694/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885SMN1; SMN2 796/4885

“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.