SCHEMBL21704893

SCHEMBL21704893

Fc1cccc(F)c1-c1c2c(c(-c3c(F)cccc3F)c3cc4ccccc4cc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2)c2cccc3c4ccccc4c(c23)c51

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR1 P03372 6/20 0.34
ESR2 Q92731 5/20 0.34
HPRT1 P00492 1/20 0.31
AHR P35869 1/20 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
SCHEMBL21704887 0.92 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19ESR1
SCHEMBL21705051 0.88 GPR84 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19ESR1
SCHEMBL21704892 0.87 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19ESR1
SCHEMBL23081347 0.85 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21705050 0.83 ADORA2A (0.32) CYP1A2ESR1ESR2
SCHEMBL21699099 0.83 ESR1 (0.32) ESR1ESR2
SCHEMBL21704897 0.81 ESR1 (0.35) CYP1A2ESR1ESR2AHR
SCHEMBL21705107 0.81 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21704881 0.80 GPR84 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19AHR
SCHEMBL21705078 0.80 ABCG2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19ESR1

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-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object CANON KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 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 (2 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-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT OCIAD1, L1CAM, SPIN4 CYP1A2 1327/4885CYP3A4 303/4885CYP2C9 1021/4885
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object OCIAD1, L1CAM, SPIN4 CYP1A2 1327/4885CYP3A4 303/4885CYP2C9 1021/4885

“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.