SCHEMBL2509034

SCHEMBL2509034

CCCCCCOc1ccc(C2CCC(C(=O)OC3CCC(C4CCC(c5ccc(OCCCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14922635 0.97 SCN9A (0.39) SCN9ALMNAMEN1KMT2ACNR1
SCHEMBL14922685 0.97 SCN9A (0.39) SCN9ALMNAMEN1KMT2ACNR1
SCHEMBL14922603 0.95 SCN9A (0.38) SCN9ALMNAMEN1KMT2AALDH1A1
SCHEMBL14922683 0.95 SCN9A (0.38) SCN9ALMNAMEN1KMT2AALDH1A1
SCHEMBL12196509 0.92 SCN9A (0.36) SCN9ALMNAMEN1KMT2ACNR1
SCHEMBL12197468 0.92 SCN9A (0.36) SCN9ALMNAMEN1KMT2ACNR1
SCHEMBL15749663 0.91 SCN9A (0.38) SCN9APTPN1CNR1CNR2THRA
SCHEMBL2513233 0.90 LMNA (0.38) SCN9APTPN1LMNAMEN1NR1I2
SCHEMBL2509917 0.90 LMNA (0.38) SCN9APTPN1LMNAMEN1NR1I2
SCHEMBL2509916 0.90 LMNA (0.38) SCN9APTPN1LMNAMEN1NR1I2

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 SCN9A 2120/4885PTPN1 3489/4885LMNA 1171/4885

“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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