SCHEMBL8943511

SCHEMBL8943511

C=CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC=C)c(F)c4F)cc3)c(F)c2F)cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
IL2 P60568 1/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
HTR2C P28335 7/20 0.32
HTR2A P28223 5/20 0.32
HTR2B P41595 2/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
DGAT1 O75907 1/20 0.31
LMNA P02545 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
SCHEMBL8945540 0.80 RARB (0.36) IL2ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL12172444 0.76 HTR2C (0.39) TSHRGAAHPGDALDH1A1HTR2C
SCHEMBL27948060 0.76 ADRB2 (0.42) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL14015538 0.75 HTR2C (0.43) TSHRGAAHPGDALDH1A1MAPK1
SCHEMBL12999938 0.74 FEN1 (0.37) TSHRGAAIL2ALDH1A1HTR2C
SCHEMBL13000423 0.74 DGAT1 (0.37) TSHRGAASQORHTR2CHTR2A
SCHEMBL8942338 0.74 CTSL (0.35) GAAALDH1A1HSD17B10HTR2CHTR2A
SCHEMBL10302038 0.74 SCD (0.33) DGAT1
SCHEMBL12999649 0.73 GAA (0.35) TSHRGAAHPGDALDH1A1MAPK1
SCHEMBL12738858 0.73 CTSS (0.35) HPGDALDH1A1HTR2CHTR2BLMNA

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 TSHR 3244/4885GAA 4800/4885IL2 2765/4885

“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.