SCHEMBL9258765

SCHEMBL9258765

COc1ccc(C(C)C)cc1-c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.53
CASR P41180 4/20 0.49
CTSA P10619 7/20 0.46
DHFR P00374 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
FYN P06241 2/20 0.44
LMNA P02545 1/20 0.44
OTUD7B Q6GQQ9 2/20 0.41

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
SCHEMBL16712950 0.93 CTSA (0.48) ERN1CASRCTSADHFRHDAC4
SCHEMBL18084776 0.91 CASR (0.46) ERN1CASRCTSADHFRHDAC4
SCHEMBL16712942 0.91 BACE1 (0.46) ERN1CASRCTSAHDAC4HDAC8
SCHEMBL16712954 0.90 ERN1 (0.51) ERN1CASRCTSAFYN
SCHEMBL11951612 0.89 CASR (0.53) ERN1CASRCTSAHDAC4HDAC8
SCHEMBL8940819 0.88 HDAC4 (0.50) ERN1CASRHDAC4HDAC8FYN
SCHEMBL9254425 0.87 ERN1 (0.49) ERN1CASRCTSADHFR
SCHEMBL23525668 0.86 ERN1 (0.48) ERN1CASRDHFRFYNLMNA
SCHEMBL27316386 0.86 SMN1; SMN2 (0.51) ERN1CASRCTSAFYN
SCHEMBL16710318 0.82 PDE4B (0.49) CTSAHDAC4HDAC8

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
WO-2011007819-A1 PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND 塩野義製薬株式会社 (JP) 2011-01-20 WO 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ERN1 3670/4885CASR 2536/4885CTSA 1122/4885

“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.