SCHEMBL22010983

SCHEMBL22010983

CCCCCc1ccc(CCc2cc3oc4cc(CCc5ccc(CCC)cc5)c(F)c(F)c4c3c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 1/20 0.38
TST Q16762 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL22011103 0.87 RARB (0.42) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL22011820 0.87 RARB (0.46) HSD17B10HTR2AABCB1RARBRARA
SCHEMBL22011819 0.86 S1PR1 (0.37) ALDH1A1TP53KDM4ELMNACYP3A4
SCHEMBL22011800 0.85 HTT (0.37) ALDH1A1TP53KDM4ELMNACYP3A4
SCHEMBL22011824 0.81 SPHK1 (0.40)
SCHEMBL20828855 0.81 ALDH1A1 (0.40) ALDH1A1TP53KDM4ECYP3A4HSD17B10
SCHEMBL22011795 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10GAATSHR
SCHEMBL22011234 0.78 CTSL (0.38) ALDH1A1ESR1TP53KDM4ELMNA
SCHEMBL20346154 0.77 ESR1 (0.44) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL22011793 0.75 ALOX5 (0.41) ALDH1A1KDM4EPTGS2HTR2AGPR55

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-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 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-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 ALDH1A1 577/4885ESR1 2493/4885ADRA2A 837/4885

“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.