SCHEMBL13624844

SCHEMBL13624844

COCCOCOc1cc(Oc2c(I)cc(C(C)=O)cc2I)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
RARG P13631 8/20 0.40
BPTF Q12830 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13624836 0.78 INPPL1 (0.46) BPTFALDH1A1GAATP53
SCHEMBL14277484 0.78 L3MBTL1 (0.38) RARBALDH1A1GAATP53TSHR
SCHEMBL4422896 0.76 TUBB4A (0.52) F2ALDH1A1GAATSHRMAPK1
SCHEMBL4426971 0.75 LMNA (0.48) F2BPTFALDH1A1MAPTTSHR
SCHEMBL4435036 0.75 LMNA (0.48) F2BPTFALDH1A1MAPTTSHR
SCHEMBL13865891 0.75 TUBB4A (0.37) BPTFALDH1A1GAAMAPTTSHR
SCHEMBL13624849 0.75 TUBB4A (0.35) BPTFALDH1A1GAATP53
SCHEMBL6723577 0.73 CA1 (0.54) BPTFALDH1A1GAATSHRMAPK1
SCHEMBL4431892 0.73 MAPT (0.48) ALDH1A1MAPTMAPK1HPGD
SCHEMBL13636845 0.72 LMNA (0.38) F2BPTFALDH1A1GAAMAPT

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
US-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
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-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
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 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 (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 F2 3983/4885ELANE 3756/4885RARG 4117/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 F2 3983/4885ELANE 3756/4885RARG 4117/4885

“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.