SCHEMBL21899202

SCHEMBL21899202

CCOCc1ccc(Oc2cccc(NC(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CACNA1B Q00975 2/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MTNR1B P49286 4/20 0.36
PPARG P37231 2/20 0.36
MTNR1A P48039 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
POLB P06746 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL18611619 0.89 RAB9A (0.39) HPGDRAB9ALMNAMAPTCACNA1B
SCHEMBL19978009 0.86 APP (0.54) HPGDRAB9ALMNAMAPTCACNA1B
SCHEMBL13705500 0.80 MAPT (0.49) HPGDRAB9ALMNAMAPTCACNA1B
SCHEMBL20235090 0.77 APP (0.50) HPGDRAB9ALMNAMAPTCACNA1B
SCHEMBL20324199 0.77 MAOB (0.56) RAB9AMAPTAPPALDH1A1SMN1; SMN2
SCHEMBL13884331 0.74 HTT (0.56) HPGDLMNACACNA1BALDH1A1SMN1; SMN2
SCHEMBL12403807 0.74 LMNA (0.52) HPGDRAB9ALMNAMAPTALDH1A1
SCHEMBL12883381 0.74 PDK1 (0.57) RAB9ALMNAMAPTAPPALDH1A1
SCHEMBL10854586 0.72 NPC1 (0.44) RAB9ALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL18611621 0.72 CACNA1B (0.35) HPGDRAB9ALMNAMAPTCACNA1B

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-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN HPGD 4471/4885RAB9A 3451/4885LMNA 2479/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN HPGD 3946/4885RAB9A 2849/4885LMNA 1946/4885

“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.