SCHEMBL20128920

SCHEMBL20128920

CCC(F)(F)CCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
MLYCD O95822 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
STING1 Q86WV6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL20120263 0.84 APP (0.33) APPMLYCDHDAC3HDAC1HDAC2
SCHEMBL12693593 0.81 AAK1 (0.36) APPMLYCDMTNR1AMTNR1BHDAC3
SCHEMBL15628177 0.81 HDAC1 (0.35) APPMLYCDMTNR1AMTNR1BHDAC3
SCHEMBL18022726 0.79 HDAC1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27286986 0.79 CES2 (0.31) ALDH1A1
SCHEMBL764943 0.79 TSHR (0.50) KDM4EALDH1A1
SCHEMBL765532 0.78 MLYCD (0.30) MLYCDMTNR1AMTNR1B
SCHEMBL22906671 0.78 HDAC6 (0.33) APPMLYCDMTNR1AMTNR1BHDAC3
SCHEMBL9361902 0.78 MLYCD (0.33) APPMLYCDMTNR1AMTNR1BHDAC3
SCHEMBL15071341 0.78 CYP1A2 (0.45) ALDH1A1

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
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 (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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN APP 95/4885MLYCD 2540/4885MTNR1A 2469/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 APP 87/4885MLYCD 3114/4885MTNR1A 2624/4885

“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.