SCHEMBL21628808

SCHEMBL21628808

CN(C)C(=O)c1ccc(Oc2ccc(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MMP13 P45452 3/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MMP14 P50281 2/20 0.37
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ATM Q13315 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL21628806 1.00 HPGD (0.61) HPGDSMN1; SMN2ALDH1A1MMP13HSD11B1
SCHEMBL21657014 0.85 SMN1; SMN2 (0.43) HPGDSMN1; SMN2ALDH1A1
SCHEMBL21656936 0.84 GPR119 (0.44) HPGDSMN1; SMN2ALDH1A1RAB9ASLC6A2
SCHEMBL23210656 0.82 PARP10 (0.49) HPGDALDH1A1HSD11B1KMT2AMAPT
SCHEMBL23210653 0.82 PARP10 (0.49) HPGDALDH1A1HSD11B1KMT2AMAPT
SCHEMBL21656813 0.82 CA1 (0.47) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23210634 0.82 CA1 (0.47) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21628522 0.81 PARP10 (0.58) ALDH1A1KMT2A
SCHEMBL21628520 0.81 PARP10 (0.58) ALDH1A1KMT2A
SCHEMBL21628644 0.81 HPGD (0.61) HPGDSMN1; SMN2MMP13TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
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 (3 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 HPGD 2313/4885SMN1; SMN2 1107/4885ALDH1A1 900/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885SMN1; SMN2 796/4885ALDH1A1 717/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885SMN1; SMN2 796/4885ALDH1A1 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.