SCHEMBL13624840

SCHEMBL13624840

COCCOCOc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
JAK2 O60674 1/20 0.55
TP53 P04637 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
APP P05067 1/20 0.41
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2046055 0.85 GAA (0.76) GAALMNAMAPTJAK2TP53
SCHEMBL1177846 0.83 GAA (0.59) GAALMNAMAPTJAK2TP53
SCHEMBL30416961 0.83 GAA (0.59) GAALMNAMAPTJAK2TP53
SCHEMBL11601635 0.79 GAA (0.67) GAALMNAMAPTJAK2TP53
SCHEMBL6044323 0.79 GAA (0.67) GAALMNAMAPTJAK2TP53
SCHEMBL8869388 0.79 ALDH1A1 (0.53) GAALMNAMAPTCA2ALDH1A1
SCHEMBL31681465 0.79 MAPT (0.50) LMNAMAPTALDH1A1KDM4ECYP3A4
Catechol SCHEMBL11648156 0.78 LMNA (0.48) GAALMNAMAPTJAK2TP53
SCHEMBL10786863 0.78 GAA (0.70) GAALMNAMAPTJAK2TP53
SCHEMBL8945690 0.77 ALDH1A1 (0.66) LMNATSHRALDH1A1KDM4EHPGD

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 GAA 1376/4885LMNA 1792/4885MAPT 28/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 GAA 1376/4885LMNA 1792/4885MAPT 28/4885

“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.