SCHEMBL12736360

SCHEMBL12736360

CCOc1ccc(-c2ccc(COc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.39
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ FFAR1 O14842 5/20 0.39
▸ PPARD Q03181 4/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ ERN1 O75460 1/20 0.35
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PRMT5 O14744 1/20 0.35

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
SCHEMBL12736362 0.92 S1PR1 (0.39) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736364 0.91 S1PR1 (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12822799 0.90 NAAA (0.43) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12718179 0.90 NAAA (0.39) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14766463 0.90 NAAA (0.45) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736372 0.90 PTPN11 (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736368 0.90 PTPN11 (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736369 0.90 PTPN11 (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736313 0.89 SLC6A2 (0.38) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12736374 0.89 NAAA (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A

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 NAAA 3997/4885SLC6A2 3580/4885SLC6A4 3218/4885

“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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