SCHEMBL425810

SCHEMBL425810

CCOc1ccc([C@H]2CC[C@H](C=O)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HCRTR2 O43614 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31

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
SCHEMBL1574664 1.00 KDM1A (0.34) KDM1AJAK2JAK1TYK2JAK3
SCHEMBL15381472 0.96 KDM1A (0.32) KDM1AJAK2JAK1TYK2JAK3
SCHEMBL11894578 0.96 KDM1A (0.32) KDM1AJAK2JAK1TYK2JAK3
SCHEMBL10009337 0.95 FPR2 (0.34) KDM1AJAK2JAK1TYK2JAK3
SCHEMBL2505524 0.95 FPR2 (0.34) KDM1AJAK2JAK1TYK2JAK3
SCHEMBL19427161 0.90 HPGD (0.31) HPGDSCN9A
SCHEMBL11894546 0.89 SCN9A (0.39) ALDH1A1MAPTLMNACYP1A2CYP2C9
SCHEMBL425861 0.89 SCN9A (0.39) ALDH1A1MAPTLMNACYP1A2CYP2C9
SCHEMBL14922531 0.88 KDM1A (0.41) KDM1AHCRTR2ALDH1A1MAPTLMNA
SCHEMBL2506933 0.87 SCN9A (0.35) ALDH1A1MAPTLMNAHPGDSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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 (2 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 KDM1A 2641/4885JAK2 789/4885JAK1 784/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 KDM1A 1215/4885JAK2 424/4885JAK1 282/4885

“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.