SCHEMBL22761971

SCHEMBL22761971

CC(C)(C)c1cccc(CC(C)(C)c2cccc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.42
KIF11 P52732 4/20 0.40
PNMT P11086 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
PKM P14618 1/20 0.36
P2RX1 P51575 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL21094294 0.89 CCR9 (0.37) CCR9KIF11PNMTTAAR1SCN5A
SCHEMBL22414493 0.89 PNMT (0.38) CCR9KIF11PNMTTAAR1PKM
SCHEMBL19806043 0.86 CCR9 (0.49) CCR9KIF11PKMP2RX1CYP3A4
SCHEMBL19635634 0.84 TAAR1 (0.42) CCR9KIF11PNMTTAAR1SCN5A
SCHEMBL29441583 0.82 HDAC4 (0.47) CCR9KIF11SCN5ASCN9AP2RX1
SCHEMBL78619 0.82 HDAC4 (0.47) CCR9KIF11SCN5ASCN9AP2RX1
SCHEMBL19806085 0.81 KIF11 (0.35) KIF11PNMTTAAR1SCN5ASCN9A
SCHEMBL18812974 0.80 HTR2A (0.50) KIF11TAAR1IDO1
Methyl Alcohol SCHEMBL27512784 0.78 HDAC4 (0.48) CCR9KIF11SCN5ASCN9AP2RX1
SCHEMBL21191531 0.77 NR3C1 (0.37) CCR9KIF11PKM

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-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-10-11 US disclosed
US-20200385408-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BETTA PHARMACEUTICALS CO., LTD. (CN) 2020-12-10 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-11466034-B2 Compound functioning as bromodomain protein inhibitor, and composition BRD4, BRD1, BRD2 CCR9 3312/4885KIF11 1115/4885PNMT 3111/4885
US-20200385408-A1 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION BRD4, BRD1, BRD2 CCR9 3312/4885KIF11 1115/4885PNMT 3111/4885

“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.