SCHEMBL25146751

SCHEMBL25146751

COC(=O)c1ccc(-c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
CYP4A11 Q02928 2/20 0.51
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
CYP4F2 P78329 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
CHKA P35790 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL765010 0.95 LOXL2 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL14379749 0.85 LOXL2 (0.51) LOXL2CA1CA2CA12CA9
SCHEMBL8121457 0.85 PTPN1 (0.55) LOXL2CYP4A11CXCR1CXCR2CYP4F2
SCHEMBL9372952 0.83 RAB9A (0.68) MAPTRAB9A
SCHEMBL13638915 0.83 RAB9A (0.68) MAPTRAB9A
SCHEMBL12001315 0.83 ACACB (0.59)
SCHEMBL25146346 0.82 SLC2A1 (0.49) LOXL2CYP4A11CXCR1CXCR2CYP4F2
SCHEMBL5177723 0.82 LOXL2 (0.59) LOXL2CA1CA2CA12CA9
SCHEMBL25146756 0.82 CXCR1 (0.57) CXCR1CXCR2RAB9A
SCHEMBL10243318 0.82 LOXL2 (0.63) LOXL2CA1CA2CA12CA9

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 LOXL2 2566/4885CA1 3294/4885CA2 4397/4885

“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.