SCHEMBL12223403

SCHEMBL12223403

CCOc1ccc(C2CCC(c3ccc(C4CCC(c5ccc(C(C)O)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CALM1 P0DP23 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL10303398 1.00 TP53 (0.34) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL11939217 0.95 FPR2 (0.36) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL12223501 0.93 CNR2 (0.40) ALOX5APFEN1
SCHEMBL10302846 0.93 CNR2 (0.40) ALOX5APFEN1
SCHEMBL11938887 0.93 MAOA (0.32) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL11939113 0.92 ACACB (0.33) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL12223936 0.92 FPR2 (0.34) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL11939375 0.92 PTGDR2 (0.35) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL11939379 0.92 PTGDR2 (0.35) TP53LMNAHTTSMN1; SMN2ACACB
SCHEMBL12223974 0.89 FPR2 (0.33) ACACBFPR2ALOX5APFEN1

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-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 TP53 3753/4885LMNA 1171/4885HTT 2209/4885

“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.

Send feedback