SCHEMBL12737640

SCHEMBL12737640

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ TPH1 P17752 5/20 0.35
▸ CYP19A1 P11511 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SCN9A Q15858 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ MRGPRX1 Q96LB2 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12737644 0.94 KDM1A (0.39) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12737636 0.93 KDM1A (0.38) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12737634 0.93 NAAA (0.39) KDM1ACYP19A1MAPTNAAA
SCHEMBL14766037 0.91 KDM1A (0.40) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12823119 0.91 KDM1A (0.40) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12737645 0.91 KDM1A (0.40) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12737637 0.90 KDM1A (0.36) KDM1ACAMKK1CAMKK2TPH1MAPT
SCHEMBL12741055 0.90 CYP19A1 (0.38) CAMKK1CAMKK2CYP19A1MAPTSMN1; SMN2
SCHEMBL12737593 0.90 CYP19A1 (0.38) CAMKK1CAMKK2CYP19A1MAPTSMN1; SMN2
SCHEMBL12737639 0.88 KDM1A (0.38) KDM1ACAMKK1CAMKK2TPH1MAPT

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 3 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

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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