SCHEMBL20046517

SCHEMBL20046517

CNCCCCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
SIGMAR1 Q99720 5/20 0.58
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.45
TAAR1 Q96RJ0 4/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ATM Q13315 1/20 0.41
S1PR2 O95136 3/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
MMP8 P22894 1/20 0.40
S1PR4 O95977 2/20 0.37
KCNH2 Q12809 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
SCHEMBL18591716 0.83 ESR1 (0.44) L3MBTL1SIGMAR1ESR1MMP8KCNH2
SCHEMBL24784249 0.80 SIGMAR1 (0.43) L3MBTL1SIGMAR1ESR1S1PR2S1PR1
SCHEMBL15511629 0.80 L3MBTL1 (0.64) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL14178223 0.79 MEN1 (0.74) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL15511313 0.78 SIGMAR1 (0.66) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL18551667 0.78 L3MBTL1 (0.67) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL30229979 0.78 L3MBTL1 (0.67) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL17703303 0.77 HTR1B (0.58) L3MBTL1MEN1KMT2AESR1
SCHEMBL6849740 0.76 TAAR1 (0.73) L3MBTL1SIGMAR1MEN1KMT2ATAAR1
SCHEMBL21367140 0.76 MAOA (0.54) SIGMAR1ESR1TAAR1KCNH2

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 4 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
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
WO-2018118598-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF FETAL LIVER KINASE POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN L3MBTL1 2900/4885SIGMAR1 1756/4885MEN1 1676/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN L3MBTL1 479/4885SIGMAR1 2774/4885MEN1 3483/4885

“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.