SCHEMBL25969224

SCHEMBL25969224

C=C/C=C(\CC)N(CC)Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ ALDH2 P05091 2/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ BCL2A1 Q16548 3/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL23641189 0.83 ALDH1A1 (0.47) ALDH1A1CNR2BCL2A1HTTRAB9A
SCHEMBL27861501 0.74 PHGDH (0.33) ALDH1A1ALDH2MGLLHTTLMNA
SCHEMBL25555106 0.71 ALDH1A1 (0.73) ALDH1A1ALDH2CNR2MGLLHTT
SCHEMBL13064495 0.70 ALDH1A1 (0.50) ALDH1A1ALDH2CNR2HTTRAB9A
SCHEMBL25969225 0.70 ALDH1A1 (0.50) ALDH1A1BCL2A1MGLLHTTRAB9A
SCHEMBL8867879 0.69 ALDH1A1 (0.49) ALDH1A1ALDH2CNR2HTTRAB9A
SCHEMBL25554741 0.67 ALDH1A1 (0.65) ALDH1A1ALDH2CNR2MGLLHTT
SCHEMBL95412 0.67 HDAC1 (0.52) ALDH1A1ALDH2CNR2LMNA
SCHEMBL9824179 0.66 ALDH1A1 (0.49) ALDH1A1CNR2HTTRAB9ACCR1
SCHEMBL27304840 0.66 L3MBTL1 (0.44) ALDH1A1ALDH2CNR2MGLLHTT

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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 — — 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO ALDH1A1 786/4885ALDH2 269/4885CNR2 333/4885

“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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