SCHEMBL12733705

SCHEMBL12733705

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
PDE4A P27815 2/20 0.34
FPR2 P25090 3/20 0.34
TPH1 P17752 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NAAA Q02083 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
BRD4 O60885 1/20 0.32
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL12735836 0.94 KDM1A (0.45) KDM1AFPR2SSTR5KCNH2
SCHEMBL10983550 0.92 KDM1A (0.57) KDM1APDE4ATPH1L3MBTL1GRIN1
SCHEMBL10983545 0.92 KDM1A (0.57) KDM1APDE4ATPH1L3MBTL1GRIN1
SCHEMBL12716506 0.90 KDM1A (0.42) KDM1ATPH1NAAA
SCHEMBL12736633 0.89 KDM1A (0.41) KDM1ATPH1NAAA
SCHEMBL10303388 0.89 KDM1A (0.51) KDM1APDE4AFPR2TUBB1ALDH1A1
SCHEMBL12716337 0.89 KDM1A (0.45) KDM1APDE4AFPR2GRIN1GRIN2B
SCHEMBL12733722 0.89 KDM1A (0.51) KDM1APDE4AFPR2TPH1CAMKK1
SCHEMBL12737188 0.89 HPGD (0.42) KDM1APDE4ATPH1CAMKK1CAMKK2
SCHEMBL12734095 0.88 KDM1A (0.40) KDM1A

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 KDM1A 937/4885PDE4A 3366/4885FPR2 589/4885

“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.