SCHEMBL20402344

SCHEMBL20402344

C[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ GAA P10253 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ ADCY6 O43306 1/20 0.30
▸ ADCY3 O60266 1/20 0.30

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
SCHEMBL23961617 1.00 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL24087858 0.97 OPRK1 (0.35) CA12CA1CA2CA4CA9
SCHEMBL19026314 0.94 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL23071798 0.93 MGLL (0.37) CA12CA1CA2CA4CA9
SCHEMBL18264893 0.90 OPRK1 (0.35) CA12CA1CA2CA4CA9
SCHEMBL23846023 0.89 NR3C1 (0.38) CA12CA1CA2CA4CA9
SCHEMBL23961616 0.89 NR3C1 (0.38) CA12CA1CA2CA4CA9
SCHEMBL24898123 0.89 NR3C1 (0.38) CA12CA1CA2CA4CA9
SCHEMBL24788071 0.89 LMNA (0.35) CA12CA1CA2CA4CA9
SCHEMBL18929515 0.87 OPRK1 (0.31) OPRK1

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-10029018-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2018-07-24 — — 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-10029018-B2 Pyrrolobenzodiazepines and conjugates thereof DBH, DDO, DOHH CA12 1879/4885CA1 1231/4885CA2 2956/4885

“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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