SCHEMBL20102532

SCHEMBL20102532

CCCCCc1ccc(C#Cc2ccc3c(c2F)-c2c-3cc(CCC)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
RARB P10826 5/20 0.37
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SHBG P04278 1/20 0.32

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
SCHEMBL20111708 0.86 FFAR1 (0.32) FFAR1
SCHEMBL20102494 0.83 RARB (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL7857763 0.83 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL7859975 0.82 HSD17B10 (0.48) HSD17B10TSHRRARBRARARARG
SCHEMBL7857797 0.82 HSD17B10 (0.48) HSD17B10TSHRRARBRARARARG
SCHEMBL20102472 0.81 RARB (0.38) HSD17B10RARBRARARARGESR1
SCHEMBL20102529 0.81 RARB (0.38) HSD17B10RARBRARARARGESR1
SCHEMBL7861098 0.79 HSD17B10 (0.40) HSD17B10TSHRRARBPTPN11PTPRO
SCHEMBL7858574 0.79 HSD17B10 (0.47) HSD17B10TSHRRARBRARARARG
SCHEMBL10302770 0.79 RARB (0.46) HSD17B10TSHRRARBRARARARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S HSD17B10 1440/4885TSHR 3697/4885RARB 1858/4885

“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.