SCHEMBL10165852

SCHEMBL10165852

CC(C)C(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.56
HRH3 Q9Y5N1 3/20 0.55
ALDH1A1 P00352 2/20 0.54
SLC9A1 P19634 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM1A O60341 1/20 0.47
DEGS1 O15121 1/20 0.47
FFAR1 O14842 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL8014355 1.00 HDAC4 (0.56) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL8088723 1.00 HDAC4 (0.56) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL29296459 1.00 HDAC4 (0.56) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL14012771 1.00 HDAC4 (0.56) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL15113836 0.81 KCNQ3 (0.61) HRH3HPGDKDM1A
SCHEMBL17087684 0.80 BACE1 (0.52) HRH3SIGMAR1KDM1A
SCHEMBL13301231 0.79 HDAC4 (0.61) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL15030617 0.79 HDAC4 (0.61) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL4751 0.79 HDAC4 (0.61) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1
SCHEMBL6997217 0.79 HDAC4 (0.61) HDAC4HRH3ALDH1A1SLC9A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS UNIV CORNELL (US) 2022-02-24 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (4 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-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS PSMB1, PSMB3, PSMB11 HDAC4 563/4885HRH3 1793/4885ALDH1A1 4635/4885
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HDAC4 621/4885HRH3 1634/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 HDAC4 621/4885HRH3 1634/4885ALDH1A1 1098/4885
US-11732005-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 HDAC4 563/4885HRH3 1793/4885ALDH1A1 4635/4885

“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.