SCHEMBL18181704

SCHEMBL18181704

O=Cc1cc(I)c(F)cc1-c1cc(F)c(I)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MCL1 Q07820 1/20 0.34

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
SCHEMBL18177610 0.84 PRKDC (0.42) ERN1HCRTR1HCRTR2MCL1
SCHEMBL3070038 0.84 ERN1 (0.39) ERN1HCRTR1HCRTR2MCL1
SCHEMBL29911304 0.76 ERN1 (0.36) ERN1MCL1
SCHEMBL28880933 0.76 PRKDC (0.44) ERN1MCL1
SCHEMBL18133931 0.76 TDP1 (0.43) ERN1MCL1
SCHEMBL13814618 0.76 ERN1 (0.36) ERN1MCL1
SCHEMBL13456212 0.72 ERN1 (0.34) ERN1
SCHEMBL31005049 0.72 ERN1 (0.48) ERN1HCRTR1HCRTR2MCL1
SCHEMBL3058038 0.70 ERN1 (0.39) ERN1HCRTR1HCRTR2MCL1
SCHEMBL21061563 0.70 ALDH1A1 (0.50) ERN1

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-9705095-B2 Organic transistor, compound, organic semiconductor material for non-light-emitting organic semiconductor device, material for organic transistor, coating solution for non-light-emitting organic semiconductor device, and organic semiconductor film for non-light-emitting organic semiconductor device FUJIFILM CORPORATION (JP) 2017-07-11 US disclosed
US-20160315271-A1 ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING SOLUTION FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2016-10-27 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-20160315271-A1 ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING SOLUTION FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE OR10J3, APOL1, OXSR1 ERN1 2555/4885HCRTR1 230/4885HCRTR2 372/4885

“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.