SCHEMBL18352374

SCHEMBL18352374

CC[C@H]1CC[C@H](C(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL16315954 1.00 MGLL (0.40) MGLLALDH1A1ADORA1BRD4MEN1
SCHEMBL18751703 0.88 MGLL (0.33) MGLLBRD4KMT2A
SCHEMBL17776064 0.88 MGLL (0.33) MGLLBRD4KMT2A
SCHEMBL855021 0.88 MGLL (0.33) MGLLBRD4KMT2A
SCHEMBL17776136 0.88 MGLL (0.33) MGLLBRD4KMT2A
SCHEMBL594082 0.86 BRD4 (0.46) ALDH1A1BRD4GAA
SCHEMBL594081 0.86 BRD4 (0.46) ALDH1A1BRD4GAA
SCHEMBL26477235 0.85 MGLL (0.36) MGLLALDH1A1BRD4MEN1KMT2A
SCHEMBL17553966 0.83 PLG (0.47) MGLL
SCHEMBL18715716 0.83 MGLL (0.32) MGLLBRD4NPC1

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-20170002090-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-01-05 — — 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-20170002090-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USES THEREOF LPXN, ADGRF1, LHCGR MGLL 2381/4885ALDH1A1 3429/4885ADORA1 1309/4885

“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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