SCHEMBL30453860

SCHEMBL30453860

CC1(C)COc2c(C=O)ccnc2O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL25354311 1.00 CCR1 (0.35) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL22516999 0.74 CCR1 (0.41) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL29952495 0.74 CCR1 (0.41) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL4234943 0.73 KDM4E (0.36) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4239500 0.71 MEN1 (0.35) ALDH1A1LMNAMEN1KMT2A
SCHEMBL20898540 0.66 CHRNB4 (0.38)
SCHEMBL23943701 0.65 LMNA (0.38) CCR8ALDH1A1LMNAMEN1KMT2A
SCHEMBL31085105 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20898631 0.62 CHRNB4 (0.38) LMNAMEN1KMT2A
SCHEMBL3307612 0.62 PTGS1 (0.38) ALDH1A1LMNAMEN1KMT2A

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-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 US disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 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-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 CCR1 2748/4885CCR5 2391/4885CCR8 1967/4885

“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.