SCHEMBL2509916

SCHEMBL2509916

CCCCCCOc1ccc(C2CCC(C(=O)O[C@H]3CC[C@H](c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL2513235 1.00 LMNA (0.38) LMNAMEN1KMT2APTPN1NR1I2
SCHEMBL2513234 1.00 LMNA (0.38) LMNAMEN1KMT2APTPN1NR1I2
SCHEMBL2506394 1.00 LMNA (0.38) LMNAMEN1KMT2APTPN1NR1I2
SCHEMBL2513233 1.00 LMNA (0.38) LMNAMEN1KMT2APTPN1NR1I2
SCHEMBL2509917 1.00 LMNA (0.38) LMNAMEN1KMT2APTPN1NR1I2
SCHEMBL14922607 0.96 SCN9A (0.37) LMNAMEN1KMT2AMAPTCNR1
SCHEMBL14922667 0.96 SCN9A (0.37) LMNAMEN1KMT2AMAPTCNR1
SCHEMBL14922674 0.94 SCN9A (0.38) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL14922608 0.94 SCN9A (0.38) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL14922591 0.93 SMN1; SMN2 (0.36) LMNAMEN1KMT2AMAPTHTR2B

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 LMNA 1171/4885MEN1 2906/4885KMT2A 1311/4885

“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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