SCHEMBL20102415

SCHEMBL20102415

CCCCCc1ccc2c(c1F)-c1c-2cc(C2CCC(CCC)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.31
CNR2 P34972 1/20 0.31
ELANE P08246 2/20 0.31
CTSG P08311 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL20102430 0.92 MEN1 (0.34) MEN1KMT2AMAPK1MAPTCYP2C9
SCHEMBL20102416 0.91 GAA (0.32) MEN1KMT2AMAPT
SCHEMBL20102602 0.91 GAA (0.30) MAPT
SCHEMBL20102427 0.90 GAA (0.31) MAPT
SCHEMBL20102418 0.88 CYP2C9 (0.36) MEN1KMT2AMAPK1MAPTCYP2C9
SCHEMBL20102613 0.87 GAA (0.32) MAPT
SCHEMBL20102485 0.86 MEN1 (0.32) MEN1KMT2AMAPK1MAPTCYP2C9
SCHEMBL20102554 0.86 MEN1 (0.33) MEN1KMT2AMAPK1MAPTCYP2C9
SCHEMBL20102561 0.86 GAA (0.33) MAPT
SCHEMBL20102423 0.85

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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S MEN1 2571/4885KMT2A 2759/4885MAPK1 1115/4885

“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.