SCHEMBL21393328

SCHEMBL21393328

CCCC(C)NC(=O)C(C)CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL23176110 0.89 ALDH1A1 (0.43) CNR1POLBALDH1A1HPGDNPC1
SCHEMBL9462858 0.89 MMP1 (0.45) CNR1POLBALDH1A1HSD17B10MAPK1
SCHEMBL24125240 0.88 CNR1 (0.51) CNR1MAPK1KMT2ACA1
SCHEMBL9462411 0.84 MAPK1 (0.43) CNR1POLBHSD17B10MAPK1KMT2A
SCHEMBL27459062 0.84 MAPK1 (0.43) CNR1POLBHSD17B10MAPK1KMT2A
SCHEMBL8847890 0.84 ALDH1A1 (0.46) POLBALDH1A1HPGDMAPK1NPC1
SCHEMBL2313350 0.82 ALDH1A1 (0.44) POLBALDH1A1HPGDMAPK1NPC1
SCHEMBL24046726 0.80 CA1 (0.42) CNR1POLBHSD17B10MAPK1LMNA
SCHEMBL2823638 0.78 ALDH1A1 (0.48) POLBALDH1A1HPGDMAPK1NPC1
SCHEMBL18739860 0.77 MME (0.50) POLBMAPK1LMNAMAPT

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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 WO 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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 CNR1 552/4885POLB 1938/4885ALDH1A1 4302/4885

“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.