SCHEMBL12737645

SCHEMBL12737645

CCOc1ccc(C2CCC(OC(=O)c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.40
▸ CAMKK1 Q8N5S9 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ TPH1 P17752 2/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 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
SCHEMBL12737646 0.93 SCN9A (0.39) KDM1ATPH1SCN9A
SCHEMBL12823119 0.92 KDM1A (0.40) KDM1ACAMKK1CAMKK2TPH1SCN9A
SCHEMBL14766037 0.92 KDM1A (0.40) KDM1ACAMKK1CAMKK2TPH1SCN9A
SCHEMBL12737650 0.92 SCN9A (0.37) KDM1ATPH1SCN9A
SCHEMBL12737640 0.91 KDM1A (0.39) KDM1ACAMKK1CAMKK2TPH1SCN9A
SCHEMBL12737657 0.91 THRB (0.38) KDM1ATPH1SCN9AMAPT
SCHEMBL12737655 0.91 THRB (0.38) KDM1ATPH1SCN9AMAPT
SCHEMBL12737658 0.91 THRB (0.38) KDM1ATPH1SCN9AMAPT
SCHEMBL12737644 0.91 KDM1A (0.39) KDM1ACAMKK1CAMKK2TPH1SCN9A
SCHEMBL12737659 0.90 PDE4A (0.34) KDM1ATPH1SCN9AHPGDPOLB

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 KDM1A 937/4885CAMKK1 1995/4885CAMKK2 2172/4885

“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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