SCHEMBL10072010

SCHEMBL10072010

CCCC(O)C1CCC(c2ccc(C3=CCC(C4CCC(c5ccc(OCC)c(F)c5)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
MCHR1 Q99705 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10072171 0.92 KDM1A (0.37) KDM1AMCHR1KMT2A
SCHEMBL10072012 0.91 MCHR1 (0.32) MCHR1
SCHEMBL10071702 0.90
SCHEMBL10072199 0.86 KDM1A (0.45) KDM1AMCHR1KMT2A
SCHEMBL10071989 0.86 KDM1A (0.45) KDM1AMCHR1KMT2A
SCHEMBL10043291 0.85 KDM1A (0.41) KDM1A
SCHEMBL15061085 0.82 KDM1A (0.38) KDM1A
SCHEMBL10043142 0.80 KDM1A (0.41) KDM1A
SCHEMBL10072002 0.79
SCHEMBL12823537 0.78 KDM1A (0.33) KDM1A

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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 KDM1A 821/4885MCHR1 2310/4885KMT2A 1270/4885

“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.