SCHEMBL12737635

SCHEMBL12737635

CCCCCC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(OC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.37
▸ PDE5A O76074 1/20 0.34
▸ SLC10A2 Q12908 1/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ACHE P22303 2/20 0.33
▸ HTR4 Q13639 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL12737637 0.93 KDM1A (0.36) NAAACYP2C9OPRL1KDM1A
SCHEMBL12741054 0.91 USP30 (0.36) NAAAPDE5APDE4BPDE4APDE4C
SCHEMBL12737592 0.91 USP30 (0.36) NAAAPDE5APDE4BPDE4APDE4C
SCHEMBL12737634 0.90 NAAA (0.39) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12737643 0.88 NAAA (0.39) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12733687 0.87 KDM1A (0.40) PDE5ASLC10A2PDE4BPDE4APDE4C
SCHEMBL12737636 0.87 KDM1A (0.38) NAAAPDE5ACYP2C9OPRL1KDM1A
SCHEMBL12741119 0.87 HTT (0.39) NAAAPDE5APDE4BPDE4APDE4C
SCHEMBL12823501 0.86 NAAA (0.42) NAAAPDE5APDE4BPDE4APDE4C
SCHEMBL12741057 0.85 NAAA (0.36) NAAAOPRL1

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 3997/4885PDE5A 3609/4885SLC10A2 4275/4885

“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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