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SCHEMBL12737634

SCHEMBL12737634

CCC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(OC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.39
▸ PDE4B Q07343 4/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL12737640 0.93 KDM1A (0.39) NAAAKDM1ACYP19A1MAPT
SCHEMBL12737643 0.93 NAAA (0.39) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12823501 0.90 NAAA (0.42) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12737635 0.90 NAAA (0.37) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12737591 0.90 USP30 (0.39) NAAAPIN1CYP19A1USP30MEN1
SCHEMBL12741053 0.90 USP30 (0.39) NAAAPIN1CYP19A1USP30MEN1
SCHEMBL12737644 0.86 KDM1A (0.39) NAAAKDM1AMAPT
SCHEMBL12821302 0.86 CYP19A1 (0.33) CYP19A1
SCHEMBL12737623 0.86 CYP19A1 (0.33) CYP19A1
SCHEMBL12716337 0.86 KDM1A (0.45) PDE4BPDE4APDE4CPDE4DKDM1A

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 3997/4885PDE4B 2984/4885PDE4A 3366/4885

“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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