SCHEMBL30385162

SCHEMBL30385162

C#Cc1ccc(CCCCCOC(C)(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
FKBP1A P62942 3/20 0.32
EPHX1 P07099 2/20 0.32
EPHX2 P34913 1/20 0.32
SPHK1 Q9NYA1 5/20 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
SCHEMBL30385565 0.99 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23780652 0.95 OPRM1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30384929 0.75 FFAR1 (0.34) EPHX1EPHX2SPHK1THRATHRB
SCHEMBL28592221 0.74 TDP1 (0.41) MEN1KMT2ATDP1L3MBTL1TSHR
SCHEMBL30385271 0.74 FFAR1 (0.35) EPHX1EPHX2THRATHRB
SCHEMBL23014824 0.72 HSD17B10 (0.41) MEN1KMT2ATDP1L3MBTL1TSHR
SCHEMBL30385299 0.72 FFAR1 (0.35) EPHX1EPHX2
SCHEMBL23015156 0.71 ALDH1A1 (0.46) SPHK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL22206988 0.68 CYP1A2 (0.42) EPHX2MEN1KMT2ATDP1THRB
SCHEMBL947879 0.66 HSD17B10 (0.61) TSHRHSD17B10THRATHRB

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-11629157-B2 Fluoro-boron pyrrole liquid crystal compounds containing 8-(bisphenylethynyl)-ester group flexible multiple ring, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2023-04-18 US claimed
US-11629157-B2 Fluoro-boron pyrrole liquid crystal compounds containing 8-(bisphenylethynyl)-ester group flexible multiple ring, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2023-04-18 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-11629157-B2 Fluoro-boron pyrrole liquid crystal compounds containing 8-(bisphenylethynyl)-ester group flexible multiple ring, preparation method and use thereof CYP46A1, BCL6, DHCR7 GABRP 3355/4885GABRD 4028/4885GABRA1 2731/4885

“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.