SCHEMBL25146754

SCHEMBL25146754

CC(C)Cc1ccc(C(=O)c2cccc(CC(C)Cc3ccc(CN)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.44
▸ EPHX1 P07099 1/20 0.40
▸ SLC7A5 Q01650 2/20 0.39
▸ CA2 P00918 3/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ENPEP Q07075 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PMP22 Q01453 1/20 0.38

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
SCHEMBL6072390 0.82 ATM (0.57) SLC7A5MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL23710191 0.82 BCL2 (0.48) MAPTPTGS2ALDH1A1LMNA
SCHEMBL9854090 0.79 ATM (0.52) CA2MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL5018743 0.77 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2CXCR1CXCR2
SCHEMBL21064585 0.77 PTGS1 (0.57) EPHX1PTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL12464122 0.77 KMT2A (0.47) RECQLKDM4ELMNAHPGDHSD17B10
SCHEMBL27594322 0.75 LOXL2 (0.65) LOXL2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6844044 0.75 FOLH1 (0.55) EPHX1SLC7A5ANPEPENPEP
SCHEMBL2900640 0.74 ATM (0.63) LOXL2CA2ALDH1A1
SCHEMBL10483032 0.73 PTGS1 (0.45) MAPTPTGS1PTGS2SMN1; SMN2CXCR1

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 2566/4885EPHX1 737/4885SLC7A5 3901/4885

“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.

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