SCHEMBL25526664

SCHEMBL25526664

COC(=O)CCCC(=O)NC1(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ADRB2 P07550 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.42
LTA4H P09960 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTPRC P08575 1/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL1718862 0.78 ADRB2 (0.56) ALDH1A1ADRB2HTTLMNARAB9A
SCHEMBL25522005 0.77 LTA4H (0.56) ALDH1A1ADRB2HTTLTA4H
SCHEMBL11989399 0.75 ALDH1A1 (0.51) ALDH1A1ADRB2HTTHDAC3HDAC1
SCHEMBL20069533 0.72 ADRB2 (0.47) ALDH1A1ADRB2HTTNPC1RAB9A
SCHEMBL15560138 0.71 HDAC3 (0.70) LMNAKDM4EHDAC3HDAC1HDAC2
SCHEMBL7505931 0.71 ADRB2 (0.59) ALDH1A1ADRB2HTTNPC1RAB9A
SCHEMBL162806 0.71 HDAC1 (0.62) ALDH1A1ADRB2LMNAKDM4ENPC1
SCHEMBL7904502 0.71 ADRB2 (0.48) ALDH1A1ADRB2HTTNPC1RAB9A
SCHEMBL11062372 0.70 LMNA (0.59) ALDH1A1LMNAKDM4ELTA4HTSHR
SCHEMBL10030999 0.70 ALDH1A1 (0.58) ALDH1A1HTTLMNAKDM4ELTA4H

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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 ALDH1A1 1895/4885ADRB2 2122/4885HTT 2297/4885

“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.