SCHEMBL2866248

SCHEMBL2866248

OB(O)c1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
EPHX1 P07099 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL8046295 0.83 ALDH1A1 (0.42) NUDT1BACE1DPP4ALDH1A1HTT
SCHEMBL8042783 0.76 DPP4 (0.38) DPP4EPHX1C3AR1
SCHEMBL8046332 0.76 DAO (0.41)
SCHEMBL20605262 0.75 HRH3 (0.51) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8040010 0.75 ALDH1A1 (0.42) ALDH1A1EPHX1SMN1; SMN2RAB9AHTR2A
SCHEMBL6756502 0.74 DPP4 (0.40) DPP4ALDH1A1HTTEPHX1
SCHEMBL20605148 0.73 HRH3 (0.49) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8042831 0.73 ALDH1A1 (0.40) NUDT1BACE1DPP4ALDH1A1HTT
SCHEMBL8046487 0.72 HRH3 (0.37) DPP4C3AR1
SCHEMBL28236690 0.72 CYP17A1 (0.41) DPP4ALDH1A1HTTSMN1; SMN2RAB9A

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-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 SRD5A2 2790/4885NUDT1 3064/4885BACE1 3312/4885

“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.