SCHEMBL22348983

SCHEMBL22348983

C/C=C\C(=O)NCCN1CCCCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
TSHR P16473 1/20 0.47
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19146563 0.86 KMT2A (0.52) KMT2ATSHRRAB9AITGB2ICAM1
SCHEMBL19146438 0.85 KMT2A (0.52) KMT2ATSHRRAB9ANPC1ITGB2
SCHEMBL20385968 0.85 KMT2A (0.52) KMT2ATSHRRAB9ANPC1ITGB2
SCHEMBL19146399 0.85 KMT2A (0.51) KMT2ATSHRRAB9ANPC1ITGB2
SCHEMBL19145898 0.83 KMT2A (0.55) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL22838012 0.81 KMT2A (0.63) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL19146542 0.80 KMT2A (0.58) KMT2ATSHRRAB9ANPC1ITGB2
SCHEMBL19146009 0.80 KMT2A (0.58) KMT2ATSHRRAB9ANPC1ITGB2
SCHEMBL16254590 0.79 KMT2A (0.65) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL19146023 0.79 KMT2A (0.57) KMT2ATSHRRAB9ANPC1ITGB2

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-10745502-B2 Polymers for oral care compositions ISP INVESTMENTS LLC (US) 2020-08-18 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-10745502-B2 Polymers for oral care compositions SMARCC1, MPO, ARID2 KMT2A 728/4885TSHR 4264/4885RAB9A 2573/4885

“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.