SCHEMBL22623944

SCHEMBL22623944

CCCCCCCC(C)(CCCCCCC)NCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NAAA Q02083 1/20 0.37
GGPS1 O95749 6/20 0.36
CNR1 P21554 1/20 0.36
FDPS P14324 8/20 0.35

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
SCHEMBL18671876 1.00 LMNA (0.42) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL18671790 1.00 LMNA (0.42) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL22851219 0.98 LMNA (0.41) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL19352786 0.90 LMNA (0.46) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL19353086 0.88 LMNA (0.50) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL19966768 0.88 LMNA (0.44) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL21790560 0.86 LMNA (0.48) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL24045162 0.85 EPHX1 (0.39) ALDH1A1TSHRGGPS1FDPS
SCHEMBL20643823 0.85 EPHX1 (0.44) ALDH1A1TSHRGGPS1FDPS
SCHEMBL18525926 0.85 EPHX1 (0.39) ALDH1A1TSHRGGPS1FDPS

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 LMNA 3691/4885KMT2A 3048/4885ALDH1A1 4108/4885

“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.