SCHEMBL12736632

SCHEMBL12736632

CCCCCC1CCC(c2ccc(COC3CCC(c4ccc(OC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.35
KDM1A O60341 2/20 0.33
DRD4 P21917 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
SLC10A2 Q12908 1/20 0.31
PDE5A O76074 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
EDNRB P24530 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL12736635 0.93 KDM1A (0.38) NAAAKDM1A
SCHEMBL12736590 0.91 NAAA (0.31) NAAA
SCHEMBL12740201 0.91 NAAA (0.31) NAAA
SCHEMBL12736631 0.90 NAAA (0.38) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12733687 0.89 KDM1A (0.40) KDM1ASLC10A2PDE5ASLC6A2SLC6A4
SCHEMBL12734942 0.89 KDM1A (0.36) KDM1ASLC10A2PDE5ASLC6A2SLC6A4
SCHEMBL12736639 0.87 NAAA (0.37) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12821325 0.86 NAAA (0.39) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12736634 0.86 KDM1A (0.40) NAAAKDM1A
SCHEMBL12740234 0.86 DRD4 (0.43) NAAADRD4SIGMAR1TMEM97

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 3997/4885KDM1A 937/4885DRD4 97/4885

“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.