SCHEMBL12736634

SCHEMBL12736634

CCCC1CCC(c2ccc(COC3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
NAAA Q02083 1/20 0.39
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 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 0.94 KDM1A (0.38) KDM1ANAAA
SCHEMBL12736633 0.92 KDM1A (0.41) KDM1ANAAAHTR1A
SCHEMBL14766150 0.91 KDM1A (0.44) KDM1ANAAAHTR1A
SCHEMBL12736640 0.90 KDM1A (0.40) KDM1ANAAACYP2C9HTR1A
SCHEMBL12736594 0.90 NAAA (0.36) NAAACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12740205 0.90 NAAA (0.36) NAAACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12821327 0.89 KDM1A (0.42) KDM1ANAAAHTR1A
SCHEMBL12736641 0.89 KDM1A (0.42) KDM1ANAAAHTR1A
SCHEMBL12734947 0.89 KDM1A (0.42) KDM1ANAAACYP2C9ALDH1A1LMNA
SCHEMBL12736628 0.89 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1

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 937/4885NAAA 3997/4885CYP2C9 2816/4885

“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.