SCHEMBL3094367

SCHEMBL3094367

CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(=O)O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 8/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CCR3 P51677 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
SCN5A Q14524 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.32

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
SCHEMBL3098417 0.90 ALDH1A1 (0.37) RHEBHDAC1HDAC8HDAC6SCN9A
SCHEMBL1173428 0.89 ALDH1A1 (0.44) HDAC1HDAC8HDAC6SCN9AKDM4E
SCHEMBL391724 0.86 ALDH1A1 (0.41) HDAC1HDAC8HDAC6SCN9AKDM4E
SCHEMBL1981364 0.85 SCN9A (0.41) HDAC1HDAC8HDAC6SCN9ACYP3A4
SCHEMBL13095926 0.85 PRKCA (0.41) RHEBSCN9ACCR3PRKCAMMP12
SCHEMBL1981685 0.83 ALDH1A1 (0.36) HDAC1HDAC8HDAC6SCN9AALDH1A1
SCHEMBL14263679 0.82 SCN9A (0.36) RHEBHDAC1HDAC8HDAC6SCN9A
SCHEMBL27691782 0.81 SRD5A1 (0.35) HDAC1HDAC8HDAC6SCN9AKDM4E
SCHEMBL5452277 0.81 ALDH1A1 (0.41) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL10293471 0.81 ALDH1A1 (0.44) HDAC1HDAC8HDAC6SCN9AKDM4E

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 RHEB 3034/4885HDAC1 327/4885HDAC8 1321/4885

“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.