SCHEMBL17928596

SCHEMBL17928596

C/C=C/C(=O)N1CCC[C@@H](C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RECQL P46063 1/20 0.46
▸ PTGS2 P35354 1/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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
SCHEMBL18331786 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1687961 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25366205 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25366713 0.95 HPGD (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23997789 0.89 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25365817 0.86 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1687921 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3487800 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13498450 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8271067 0.79 ALDH1A1 (0.44) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-15 — — US disclosed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 — — 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-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE BTK, SYK, BCL9 HPGD 1921/4885SMN1; SMN2 4276/4885ALDH1A1 2864/4885

“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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