SCHEMBL21628440

SCHEMBL21628440

COC(=O)c1cnc(Oc2ccc(C(C)(C)C)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
PTGER4 P35408 1/20 0.44
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGFR2 P21802 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL21628650 0.90 LMNA (0.57) LMNAPTGER4MAPTKMT2AMAPK1
SCHEMBL20482112 0.88 NPC1 (0.46) LMNAALDH1A1NPSR1HPGDPTGER4
SCHEMBL21628667 0.88 LMNA (0.49) LMNAALDH1A1NPSR1HPGDPTGER4
SCHEMBL21628867 0.88 LMNA (0.49) LMNAALDH1A1NPSR1HPGDPTGER4
SCHEMBL20827019 0.87 PTGER4 (0.51) ALDH1A1NPSR1PTGER4THRBMAPT
SCHEMBL20827025 0.87 MAOB (0.47) LMNAALDH1A1HPGDPTGER4THRB
SCHEMBL21628740 0.86 HDAC6 (0.50) PTGER4MAPT
SCHEMBL21628439 0.86 SMN1; SMN2 (0.47) HPGDPTGER4MAPTNPC1RAB9A
SCHEMBL21628769 0.86 ICAM1 (0.44) ALDH1A1NPSR1HPGDPTGER4THRB
SCHEMBL21628625 0.86 TDP1 (0.46) LMNAALDH1A1NPSR1HPGDPTGER4

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 LMNA 3327/4885ALDH1A1 717/4885NPSR1 4806/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885NPSR1 4806/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK LMNA 3083/4885ALDH1A1 900/4885NPSR1 4780/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885NPSR1 4806/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR LMNA 832/4885ALDH1A1 929/4885NPSR1 3493/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885NPSR1 4806/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK LMNA 3327/4885ALDH1A1 717/4885NPSR1 4806/4885

“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.