SCHEMBL6816249

SCHEMBL6816249

FC(F)c1ccc2ccc(C(F)F)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.44
TRPV4 Q9HBA0 1/20 0.39
KIF11 P52732 1/20 0.39
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
ATM Q13315 1/20 0.33
MMP9 P14780 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 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
SCHEMBL6816681 0.91 UGT2B7 (0.46) UGT2B7TRPV4KIF11CYP2D6CYP3A4
SCHEMBL1538879 0.87 UGT2B7 (0.61) UGT2B7KIF11CYP2D6CYP3A4SLC6A2
SCHEMBL9221994 0.86 CYP2A6 (0.61) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL5779602 0.86 CYP2A6 (0.48) UGT2B7TRPV4KIF11CYP1A2CYP2A6
SCHEMBL1538471 0.85 UGT2B7 (0.54) UGT2B7KIF11CYP2D6CYP3A4SLC6A2
SCHEMBL6819485 0.81 TYR (0.50) UGT2B7TRPV4CYP2A6TSHR
SCHEMBL9221991 0.81 AKR1C3 (0.37) UGT2B7TRPV4KIF11CYP2D6CYP3A4
SCHEMBL29957793 0.81 CA1 (0.53) UGT2B7TSHR
SCHEMBL6819893 0.81 PTPN1 (0.39) UGT2B7TRPV4KIF11
SCHEMBL6823275 0.79 PTPN1 (0.34) UGT2B7TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995734-B1 Method for production of halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6433231-B2 BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-13 US disclosed
US-20010045350-A1 Method for production of halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-11-29 US disclosed
US-6288290-B1 BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS NIPPON SHOKUBAI, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0995734-A1 Method for production of halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2000-04-26 EP 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-20010045350-A1 Method for production of halogen-containing aromatic compound CBR1, CBR3, DCXR UGT2B7 2239/4885TRPV4 1170/4885KIF11 2771/4885

“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.