SCHEMBL2820837

SCHEMBL2820837

CCCC1CCC(c2ccc(C(F)=C(F)c3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 3/20 0.34
KDM1A O60341 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHEK2 O96017 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
SCHEMBL2820834 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13295974 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2820836 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509485 0.87 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15236071 0.83 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5067023 0.81 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5067020 0.81 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22277689 0.81 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6896856 0.81 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7907390 0.81 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932896-B1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
US-7732022-B2 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2008-06-26 US disclosed
EP-1932896-A1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GmbH (DE) 2008-06-18 EP 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-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS SBDS, LSS, VCL CYP2C9 1167/4885ALDH1A1 836/4885LMNA 973/4885

“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.