SCHEMBL12823121

SCHEMBL12823121

CCCC(O)c1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ ACACB O00763 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12823199 1.00 MEN1 (0.37) MEN1KMT2AMAPTTHRBADRB1
SCHEMBL12823214 0.93 MAPT (0.39) MEN1KMT2AMAPTTHRBADRB1
SCHEMBL12823401 0.89 PTGS2 (0.42) MEN1KMT2AMAPTTHRBPTGS2
SCHEMBL12719421 0.89 ADRB1 (0.34) MEN1KMT2AADRB1ADRB3FAAH
SCHEMBL12823898 0.89 ADRB1 (0.34) MEN1KMT2AADRB1ADRB3KDM4E
SCHEMBL12821512 0.89 ADRB1 (0.34) MEN1KMT2AADRB1ADRB3KDM4E
SCHEMBL12822511 0.89 ADRB1 (0.34) MEN1KMT2AADRB1ADRB3FAAH
SCHEMBL12823074 0.89 MAPT (0.38) MAPTTHRBADRB1ADRB3PTGS2
SCHEMBL13586578 0.89 MAPT (0.38) MAPTTHRBADRB1ADRB3PTGS2
SCHEMBL12822869 0.88 MAPT (0.33) MEN1KMT2AMAPTADRB1ADRB3

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 MEN1 2496/4885KMT2A 1271/4885MAPT 1075/4885

“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.

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