SCHEMBL7080755

SCHEMBL7080755

BrCCCOC1CCC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.39
SIGMAR1 Q99720 3/20 0.39
SLC18A3 Q16572 3/20 0.39
KDM4E B2RXH2 1/20 0.38
IDO1 P14902 1/20 0.36
GRIN2B Q13224 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28469664 0.94 HCRTR2 (0.38) HCRTR2SIGMAR1SLC18A3KDM4EIDO1
SCHEMBL11590148 0.90 SLC18A3 (0.41) HCRTR2SIGMAR1SLC18A3KDM4EIDO1
SCHEMBL19380876 0.90 SLC18A3 (0.41) HCRTR2SIGMAR1SLC18A3KDM4EIDO1
SCHEMBL11619194 0.83 DRD2 (0.46) HCRTR2KDM4EDRD2
SCHEMBL10620191 0.83 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3IDO1GRIN2B
SCHEMBL10620204 0.83 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3IDO1GRIN2B
SCHEMBL8558032 0.82 DRD2 (0.45) HCRTR2KDM4EDRD2TP53CYP3A4
SCHEMBL11587652 0.82 HCRTR2 (0.38) HCRTR2SIGMAR1SLC18A3IDO1GRIN2B
SCHEMBL10621649 0.80 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3IDO1MEN1
SCHEMBL10622372 0.80 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 HCRTR2 2176/4885SIGMAR1 3910/4885SLC18A3 4030/4885

“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.