SCHEMBL16984908

SCHEMBL16984908

NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)COCC(=O)NCCO)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.51
▸ SSTR3 P32745 1/20 0.49
▸ CHRNA1 P02708 3/20 0.44
▸ CHRNG P07510 3/20 0.44
▸ CHRNB1 P11230 3/20 0.44
▸ CHRND Q07001 3/20 0.44
▸ CTSL P07711 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL16854865 0.91 CALCRL (0.54) CALCRLSSTR3CHRNA1CHRNGCHRNB1
SCHEMBL23425577 0.82 KLKB1 (0.45) CALCRLSSTR3CHRNDHDAC4PLG
SCHEMBL23230052 0.80 CALCRL (0.60) CALCRLSSTR3GRIA1
SCHEMBL14129702 0.79 CPA1 (0.42) SSTR3CTSLFOLH1SIRT2SIRT1
SCHEMBL19719375 0.79 LTA4H (0.52) CALCRLSSTR3PLG
SCHEMBL14140557 0.79 LTA4H (0.52) CALCRLSSTR3PLG
SCHEMBL23286081 0.78 SSTR3 (0.53) CALCRLSSTR3KDM1AMAOASIRT2
SCHEMBL12412728 0.77 MMP1 (0.51) CALCRL
SCHEMBL15928006 0.75 SSTR3 (0.44) CALCRLSSTR3CHRNA1CHRNGCHRNB1
SCHEMBL25083560 0.74 SSTR3 (0.56) CALCRLSSTR3

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-9458242-B2 Dosages of immunoconjugates of antibodies and SN-38 for improved efficacy and decreased toxicity IMMUNOMEDICS, INC. (US) 2016-10-04 — — US disclosed
US-20150216997-A1 Dosages of Immunoconjugates of Antibodies and SN-38 for Improved Efficacy and Decreased Toxicity IMMUNOMEDICS, INC. 2015-08-06 — — 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-20150216997-A1 Dosages of Immunoconjugates of Antibodies and SN-38 for Improved Efficacy and Decreased Toxicity CD74, CD2, CD22 CALCRL 2838/4885SSTR3 942/4885CHRNA1 1986/4885

“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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