SCHEMBL14666358

SCHEMBL14666358

COC(=O)c1cc(I)c(C(=O)OC)cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.53
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ CASP1 P29466 1/20 0.44

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
SCHEMBL15903170 0.90 CFTR (0.53) CFTRCA12CA1CA2CA7
SCHEMBL25455691 0.89 CFTR (0.46) CFTRCA12CA1CA2CA7
SCHEMBL9480503 0.89 CFTR (0.45) CFTRCA12CA1CA2CA7
SCHEMBL28922445 0.88 CFTR (0.66) CFTRCA12CA1CA2CA7
SCHEMBL8380009 0.88 SOS1 (0.50) CFTRCA12CA1CA2CA7
SCHEMBL23364330 0.85 KDM4E (0.61) KDM4ETSHRGAAALDH1A1HSD17B10
SCHEMBL28972569 0.83 GAA (0.45) CFTRCA12CA1CA2CA7
SCHEMBL30337082 0.83 GAA (0.45) CFTRCA12CA1CA2CA7
SCHEMBL31024714 0.82 CA12 (0.50) CFTRCA12CA1CA2CA7
SCHEMBL25340450 0.82 CA12 (0.50) CFTRCA12CA1CA2CA7

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-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 — — US disclosed
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 — — 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-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES TEC, PNMT, TES CFTR 4498/4885CA12 3073/4885CA1 3654/4885

“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.

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