SCHEMBL22011793

SCHEMBL22011793

CCCCCc1cc2oc3cc(OC)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.41
PTGS2 P35354 4/20 0.40
HTR2A P28223 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HMGCR P04035 1/20 0.36

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
SCHEMBL22010811 0.89 KDM4E (0.36) ALOX5PTGS2GPR55KDM4EMEN1
SCHEMBL22011800 0.85 HTT (0.37) ALOX5KDM4EMEN1ALDH1A1POLB
SCHEMBL22010964 0.84 KDM4E (0.37) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL22010799 0.82 PGAM1 (0.39) KDM4EALDH1A1HMGCR
SCHEMBL22011095 0.81 PGAM1 (0.38) KDM4EALDH1A1HTTHMGCR
SCHEMBL20828855 0.81 ALDH1A1 (0.40) ALOX5KDM4EMEN1USP2ALDH1A1
SCHEMBL22011226 0.78 HMGCR (0.36) KDM4EALDH1A1MAPTHTTHMGCR
SCHEMBL22010938 0.78 TSHR (0.33) ALOX5KDM4EMEN1ALDH1A1POLB
SCHEMBL22011795 0.77 ALDH1A1 (0.38) ALOX5KDM4EMEN1USP2ALDH1A1
SCHEMBL22010784 0.76 ABCB1 (0.34) ALOX5HTR2AKDM4EALDH1A1MAPT

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 ALOX5 1263/4885PTGS2 3947/4885HTR2A 1052/4885

“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.