SCHEMBL12197181

SCHEMBL12197181

CCOc1ccc(C2CCC(c3ccc(C(=O)OC4CCC(c5ccc(C)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.34
▸ CAMKK1 Q8N5S9 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ SGPL1 O95470 1/20 0.33
▸ MRGPRX1 Q96LB2 4/20 0.33
▸ TSPO P30536 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ RXRA P19793 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
SCHEMBL10091366 0.97 MAPT (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL11933347 0.96 MAPT (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL11933255 0.96 MAPT (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL14922550 0.94 MAPT (0.40) MAPTSMN1; SMN2CAMKK1CAMKK2TP53
SCHEMBL12197264 0.93 MAPT (0.35) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL12197191 0.92 SCN9A (0.39) MAPTSMN1; SMN2HPGDTP53HTT
SCHEMBL14766370 0.90 SMN1; SMN2 (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL12822542 0.90 SMN1; SMN2 (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL12741064 0.90 MAPT (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL14767243 0.90 MAPT (0.37) MAPTSMN1; SMN2CAMKK1CAMKK2MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 MAPT 1000/4885SMN1; SMN2 3764/4885HPGD 4261/4885

“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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