SCHEMBL21795447

SCHEMBL21795447

CC(C)c1cc2c(cc1OCCN1CCOCC1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.49
SYK P43405 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
RAB9A P51151 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
SCHEMBL21730016 0.80 MEN1 (0.59) MEN1KMT2APOLBTSHRNPC1
SCHEMBL21730014 0.80 MEN1 (0.53) MEN1KMT2APOLBSYKTSHR
SCHEMBL19129648 0.78 MEN1 (0.57) MEN1KMT2APOLBSYKTSHR
SCHEMBL12781713 0.78 SYK (0.56) MEN1KMT2APOLBSYKTSHR
SCHEMBL12290760 0.77 MEN1 (0.56) MEN1KMT2APOLBTSHRKDM4E
SCHEMBL14416658 0.76 MEN1 (0.65) MEN1KMT2APOLBSYKTSHR
SCHEMBL21772279 0.76 POLB (0.53) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL10223324 0.76 ADRB2 (0.64) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL21730019 0.76 MEN1 (0.52) MEN1KMT2APOLBSYKTSHR
SCHEMBL21730049 0.75 NPC1 (0.61) MEN1KMT2APOLBATMKDM4E

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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA MEN1 4876/4885KMT2A 3906/4885POLB 507/4885

“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.