SCHEMBL7097574

SCHEMBL7097574

Fc1cc(F)c([B-](c2c(F)cc(F)cc2F)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ERN1 O75460 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TGM2 P21980 1/20 0.30

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
Lithium Ion SCHEMBL10622024 0.97 CES2 (0.33) CES2CES1ALDH1A1CA12CA1
SCHEMBL217782 0.69 CA1 (0.33) CES2CES1ALDH1A1CA12CA1
SCHEMBL23272991 0.68 CA9 (0.41) CES2CES1ALDH1A1CA12CA1
SCHEMBL531337 0.67 CES2 (0.52) CES2CES1ALDH1A1CA12CA1
SCHEMBL12578957 0.67 CES2 (0.39) CES2CES1ALDH1A1CA12CA1
Phosphine SCHEMBL28955379 0.67 CA1 (0.32) ALDH1A1CA12CA1
SCHEMBL6066205 0.67 CES2 (0.41) CES2CES1CA12CA1TGM2
SCHEMBL391500 0.67 CA1 (0.36) CES2CES1CA12CA1
SCHEMBL8776393 0.67 CES2 (0.39) CES2CES1CA12CA9ERN1
Benzene SCHEMBL28371694 0.65 CA1 (0.31) CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US claimed
CN-116848467-A Photosensitive resin composition, cured film, and semiconductor device 住友电木株式会社 2023-10-03 CN disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-10450462-B2 Colored composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-10253118-B2 Cyanine coloring composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-04-09 US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
EP-1006119-B1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX INC (JP) 2003-09-03 EP disclosed
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US disclosed
EP-1006119-A1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX, INC. (JP) 2000-06-07 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 (3 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-10450462-B2 Colored composition IK, HEATR6, CYBA CES2 1011/4885CES1 2311/4885ALDH1A1 816/4885
US-10253118-B2 Cyanine coloring composition ABCC1, IK, KATNAL2 CES2 946/4885CES1 3437/4885ALDH1A1 778/4885
US-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 CES2 2256/4885CES1 1219/4885ALDH1A1 365/4885

“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.