SCHEMBL2604658

SCHEMBL2604658

C=C(C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(=C)C(F)(F)F)cc3)c2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN5 P54829 3/20 0.40
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38

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
SCHEMBL2606420 0.94 PTPN5 (0.47) LMNAGAAKIF11MAPTTDP1
SCHEMBL21101846 0.86 KIF11 (0.40) LMNAGAAKIF11MAPTTDP1
SCHEMBL2606419 0.85 PTPN5 (0.42) MAPTPTPN5HDAC1HDAC2FFAR4
SCHEMBL2604654 0.82 LMNA (0.46) LMNAGAAMAPTTDP1HDAC2
SCHEMBL22250959 0.81 PRSS1 (0.43) LMNAKIF11MAPTTDP1KMT2A
SCHEMBL9745691 0.80 ELANE (0.45) GAAMAPTTDP1HDAC1HDAC2
SCHEMBL21101844 0.79 BACE1 (0.38) KIF11SMN1; SMN2PTPN1FFAR4KDM4E
SCHEMBL2123965 0.79 ELANE (0.57) LMNAGAAMAPTTDP1HDAC2
SCHEMBL16439042 0.78 KIF11 (0.37) KIF11MAPTHPGDABCB1KDM4E
SCHEMBL13888377 0.77 TDP1 (0.39) LMNAGAAKIF11MAPTTDP1

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
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 LMNA 301/4885GAA 4278/4885KIF11 173/4885

“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.