SCHEMBL350953

SCHEMBL350953

CC(C)(C)c1cc(I)cc(I)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.64
CA2 P00918 4/20 0.50
CA1 P00915 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
CYP1A2 P05177 3/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
HPN P05981 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL12574779 0.88 CA2 (0.64) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL13191049 0.81 TTR (0.56) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL6837400 0.80 CA2 (0.48) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL4857989 0.80 SMN1; SMN2 (0.71) TTRCA2CA1SMN1; SMN2ALDH1A1
Triiodophenol SCHEMBL338137 0.80 TTR (1.00) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL2714462 0.78 CA2 (0.46) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL482949 0.78 IGF1R (0.47) TTRCA2CA1SMN1; SMN2ALDH1A1
SCHEMBL7929970 0.77 TTR (0.56) TTRCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL12203443 0.77 TTR (0.50) TTRCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL21263654 0.76 TTR (0.42) TTRCA2CA1SMN1; SMN2ALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 EP disclosed
EP-3056486-B1 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
EP-2887941-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US disclosed
US-9732045-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2017-08-15 US disclosed
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. 2016-11-17 US disclosed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US disclosed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP disclosed
EP-3056486-A2 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS AbbVie Bahamas Ltd. (BS) 2016-08-17 EP disclosed
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 EP disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
EP-0707849-B1 USE OF DERIVATIVES OF 2,4-DISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S L (ES) 2001-12-19 EP disclosed
EP-0707849-A1 USE OF DERIVATIVES OF 2,4-BISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S.L. (ES) 1996-04-24 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 (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-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE TTR 2021/4885CA2 1429/4885CA1 2881/4885
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS TTR 468/4885CA2 4346/4885CA1 4130/4885

“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.