SCHEMBL12736372

SCHEMBL12736372

CCCCCCOc1ccc(-c2ccc(COc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RARB P10826 3/20 0.34
▸ RARA P10276 2/20 0.34
▸ RARG P13631 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
SCHEMBL12736368 1.00 PTPN11 (0.37) PTPN11PTPN1PTPN6S1PR1S1PR3
SCHEMBL12736369 1.00 PTPN11 (0.37) PTPN11PTPN1PTPN6S1PR1S1PR3
SCHEMBL12736364 0.99 S1PR1 (0.37) PTPN11PTPN1PTPN6S1PR1S1PR3
SCHEMBL12736362 0.96 S1PR1 (0.39) S1PR1NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12736360 0.90 NAAA (0.39) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12740831 0.88 FEN1 (0.35) PTPN11PTPN1PTPN6SLC6A2SLC6A4
SCHEMBL12740832 0.88 FEN1 (0.35) PTPN11PTPN1PTPN6SLC6A2SLC6A4
SCHEMBL12736287 0.88 FEN1 (0.35) PTPN11PTPN1PTPN6SLC6A2SLC6A4
SCHEMBL12736294 0.88 FEN1 (0.35) PTPN11PTPN1PTPN6SLC6A2SLC6A4
SCHEMBL12736283 0.88 FEN1 (0.35) PTPN11PTPN1PTPN6SLC6A2SLC6A4

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 PTPN11 3889/4885PTPN1 3560/4885PTPN6 4066/4885

“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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