SCHEMBL12736620

SCHEMBL12736620

CCOCc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HCRTR2 O43614 3/20 0.32
ADRA1A P35348 1/20 0.32
ACACB O00763 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL12740223 1.00 HTR1A (0.35) HTR1AHCRTR2ADRA1AACACBCARM1
SCHEMBL18722013 0.93 ADRA1A (0.35) ADRA1A
SCHEMBL12733657 0.93 ADRA1A (0.35) ADRA1A
SCHEMBL12740191 0.91 HTR1A (0.36) HTR1AHCRTR2ACACBCARM1PRMT6
SCHEMBL12736580 0.91 HTR1A (0.36) HTR1AHCRTR2ACACBCARM1PRMT6
SCHEMBL12736651 0.90 HTR1A (0.32) HTR1AHCRTR2ADRA1A
SCHEMBL13586216 0.90 HTR1A (0.35) HTR1AHCRTR2ADRA1AACACBCARM1
SCHEMBL12719280 0.90 HTR1A (0.35) HTR1AHCRTR2ADRA1AACACBCARM1
SCHEMBL13586567 0.90 HTR1A (0.35) HTR1AHCRTR2ADRA1AACACBCARM1
SCHEMBL12823280 0.90 HTR1A (0.35) HTR1AHCRTR2ADRA1AACACBCARM1

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 HTR1A 484/4885HCRTR2 730/4885ADRA1A 579/4885

“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.