SCHEMBL18177610

SCHEMBL18177610

COc1cc(I)c(F)cc1-c1cc(F)c(I)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 12/20 0.40
MCL1 Q07820 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL18181704 0.84 ERN1 (0.38) ERN1MCL1HCRTR1HCRTR2
SCHEMBL28984397 0.78 PRKDC (0.48) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1541964 0.76 ALDH1A1 (0.47) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL18177598 0.75 ALDH1A1 (0.40) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL15010882 0.73 ALDH1A1 (0.52) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL2916606 0.72 CYP3A4 (0.39) PRKDCALDH1A1TSHRCYP3A4MAPT
SCHEMBL31690208 0.71 HTR2A (0.44) ALDH1A1L3MBTL1
SCHEMBL1589608 0.71 ALDH1A1 (0.65) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL21614393 0.70 LMNA (0.38) TSHRCYP3A4LMNA
SCHEMBL22342696 0.70 HTR2A (0.44) TSHRCYP3A4MAPTLMNA

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 PRKDC 4774/4885ALDH1A1 3542/4885KDM4E 2655/4885

“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.