SCHEMBL4428790

SCHEMBL4428790

COc1ccc(Oc2c(I)cc(CC(C)=O)cc2I)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.52
THRA P10827 5/20 0.52
PPARG P37231 3/20 0.52
RXRA P19793 2/20 0.52
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
PCNA P12004 12/20 0.52
LMNA P02545 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ABCB11 O95342 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 2/20 0.52
HTR1A P08908 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTR2B P41595 2/20 0.52
PDE4D Q08499 2/20 0.52

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
SCHEMBL14484752 0.88 THRA (0.68) THRBTHRAPPARGRXRAITGB3
SCHEMBL5742498 0.87 PCNA (0.53) THRBTHRAPPARGRXRAITGB3
SCHEMBL5742010 0.84 PCNA (0.57) THRBTHRAPPARGRXRAITGB3
SCHEMBL6859639 0.83 PCNA (0.50) THRBTHRAPPARGRXRAITGB3
SCHEMBL16124484 0.82 THRB (0.77) THRBTHRAPPARGRXRAITGB3
SCHEMBL12312518 0.82 THRB (0.58) THRBTHRA
SCHEMBL12312510 0.82 THRB (0.50) THRBTHRAPPARG
SCHEMBL13949709 0.81 THRB (0.77) THRBTHRAPPARGRXRAITGB3
SCHEMBL6535223 0.81 PCNA (0.49) THRBTHRAPPARGRXRAITGB3
SCHEMBL16124458 0.80 PCNA (0.74) THRBTHRAPPARGRXRAITGB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO claimed
US-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
WO-2008030892-A2 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO 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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 THRB 1704/4885THRA 2583/4885PPARG 2801/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 THRB 1704/4885THRA 2583/4885PPARG 2801/4885

“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.