SCHEMBL12737263

SCHEMBL12737263

C=CCOc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 4/20 0.35
SCN9A Q15858 2/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KAT6A Q92794 2/20 0.32
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
HTR2A P28223 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
ADRB2 P07550 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
SCHEMBL12742206 0.94 POLB (0.40) MTNR1APOLBTSHRMAPK1HPGD
SCHEMBL12737267 0.91 ALDH1A1 (0.35) MAPK1HPGDSCN9AALDH1A1
SCHEMBL12737266 0.91 HPGD (0.34) POLBTSHRMAPK1HPGDSCN9A
SCHEMBL14766769 0.91 HPGD (0.35) MTNR1APOLBTSHRMAPK1HPGD
SCHEMBL12737252 0.89 HPGD (0.39) MTNR1AHPGDSCN9AALDH1A1
SCHEMBL12717377 0.89 POLB (0.35) MTNR1APOLBTSHRMAPK1HPGD
SCHEMBL12737172 0.89 HPGD (0.36) POLBTSHRMAPK1HPGDSCN9A
SCHEMBL12742066 0.89 HPGD (0.36) POLBTSHRMAPK1HPGDSCN9A
SCHEMBL12742135 0.89 POLB (0.36) MTNR1APOLBTSHRMAPK1HPGD
SCHEMBL12737253 0.87 CRBN (0.39) HPGDSCN9ANPC1RAB9AALDH1A1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 MTNR1A 3849/4885POLB 4154/4885TSHR 1898/4885

“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.