SCHEMBL12375433

SCHEMBL12375433

BrCCCC1CCC(CC2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 4/20 0.45
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.33
KDM5A P29375 2/20 0.31
PHF8 Q9UPP1 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM4A O75164 1/20 0.31
CEL P19835 1/20 0.31

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
SCHEMBL11023325 0.91 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL80082 0.91 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL11019093 0.91 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL11021457 0.91 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
Bromide SCHEMBL19330051 0.88 CYP1A2 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL3691804 0.88
SCHEMBL79050 0.83 SIGMAR1 (0.56) CYP1A2SIGMAR1MAPTEPHX1KDM5A
SCHEMBL11154618 0.83 SIGMAR1 (0.56) CYP1A2SIGMAR1MAPTEPHX1KDM5A
SCHEMBL19922821 0.83
SCHEMBL281878 0.83

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-8366963-B2 Compound having hydrocoumarin skeleton, liquid crystal compostition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 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-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 CYP1A2 1327/4885SIGMAR1 1634/4885MAPT 391/4885

“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.