SCHEMBL12736364

SCHEMBL12736364

CCCCCOc1ccc(-c2ccc(COc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PPARD Q03181 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
SCHEMBL12736369 0.99 PTPN11 (0.37) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736372 0.99 PTPN11 (0.37) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736368 0.99 PTPN11 (0.37) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736362 0.97 S1PR1 (0.39) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736360 0.91 NAAA (0.39) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736380 0.89 KDM4E (0.36) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14766077 0.88 NAAA (0.43) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736273 0.88 FEN1 (0.35) SLC6A2SLC6A4SLC6A3HTR1AFPR2
SCHEMBL12740827 0.88 FEN1 (0.35) SLC6A2SLC6A4SLC6A3HTR1AFPR2
SCHEMBL14765957 0.87 NAAA (0.42) S1PR1NAAASLC6A2SLC6A4SLC6A3

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 S1PR1 1190/4885NAAA 3997/4885SLC6A2 3580/4885

“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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