SCHEMBL20133162

SCHEMBL20133162

CCC(C)C(=O)COCCOCCOCCNC(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16426482 0.89 KDM4E (0.49) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL16421153 0.85 MEN1 (0.41) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL21105824 0.84 KDM4E (0.43) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL861505 0.84 KDM4E (0.43) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL11956477 0.84 KDM4E (0.43) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL21933196 0.84 CES2 (0.39) KDM4ETDP1CYP2C19ALDH1A1HTT
SCHEMBL22970115 0.82 MEN1 (0.39) KDM4EMEN1KMT2ACYP1A2CYP2D6
SCHEMBL20325163 0.81 KDM4E (0.39) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL24764220 0.81 KDM4E (0.42) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL24756940 0.81 KDM4E (0.41) KDM4EPOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 KDM4E 1212/4885TDP1 1050/4885POLB 3366/4885

“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.