SCHEMBL12736359

SCHEMBL12736359

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ PPARD Q03181 7/20 0.39
▸ FFAR1 O14842 7/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ NAAA Q02083 2/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 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
SCHEMBL12736349 0.92 NAAA (0.46) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12718179 0.92 NAAA (0.39) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12736341 0.90 NAAA (0.38) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12736360 0.89 NAAA (0.39) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12740825 0.89 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL12736262 0.89 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL12823319 0.88 FFAR1 (0.38) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL14766463 0.88 NAAA (0.45) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12822799 0.88 NAAA (0.43) SLC6A2SLC6A4SLC6A3HTR1APPARD
SCHEMBL12735377 0.87 NAAA (0.38) PPARDFFAR1NR1H4NAAAPPARA

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 SLC6A2 3580/4885SLC6A4 3218/4885SLC6A3 2440/4885

“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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