SCHEMBL25745852

SCHEMBL25745852

CCCn1cc(C2CC2)cc(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
DRD2 P14416 6/20 0.37
BRD4 O60885 4/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
CREBBP Q92793 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A4 P31645 1/20 0.33
USP2 O75604 1/20 0.33
CNR2 P34972 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32

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
SCHEMBL25747188 0.83 BRD4 (0.45) BRD4BRD2BRD3CREBBPKDM4E
SCHEMBL25745916 0.80 CNR2 (0.33) TYRDRD2ALDH1A1SLC6A4CNR2
SCHEMBL25745853 0.78 BRD4 (0.44) BRD4BRD2BRD3CREBBPBRD9
SCHEMBL25745849 0.76 BRD2 (0.31) BRD4BRD2BRD3CREBBP
SCHEMBL24007755 0.75 SLC18A3 (0.33)
SCHEMBL25746137 0.75 SLC18A3 (0.33)
SCHEMBL24565558 0.75 KAT2B (0.34) BRD4BRD2BRD3CREBBP
SCHEMBL25746125 0.74
SCHEMBL25745848 0.73 SLC18A3 (0.39)
SCHEMBL25745847 0.73 BRD4 (0.46) BRD4CNR2CYP1A2CYP2C9CYP2C19

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-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 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 (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-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TYR 608/4885DRD2 4364/4885BRD4 53/4885

“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.