SCHEMBL20046014

SCHEMBL20046014

CC(C)(C)CCc1cccc(COCCCNC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53BP1 Q12888 4/20 0.33
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NMT2 O60551 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NMT1 P30419 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL18591739 0.86 ITGB3 (0.35) ITGB3ITGA2BGAAALDH1A1KDM4E
SCHEMBL26748696 0.85 KDM4E (0.38) ITGB3ITGA2BGAAALDH1A1KDM4E
SCHEMBL18591729 0.78 KDM4E (0.47) GAAALDH1A1KDM4E
SCHEMBL11917612 0.75 L3MBTL1 (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL20443658 0.74 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL20805551 0.74 TP53BP1 (0.38) ITGB3ITGA2BGAAALDH1A1KDM4E
SCHEMBL14176503 0.72 TAAR1 (0.46) ALDH1A1MEN1LMNAKMT2ATP53BP1
SCHEMBL21215093 0.70 KDM4E (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL18738829 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL18551301 0.68 HTR1B (0.42) GAAALDH1A1KDM4EMEN1LMNA

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
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 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 (1 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 ITGB3 4471/4885ITGA2B 4509/4885GAA 1094/4885

“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.