SCHEMBL13624851

SCHEMBL13624851

CC(C)(C)OP(=O)(Oc1cc(I)ccc1O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
WDR5 P61964 1/20 0.33
CXCL12 P48061 1/20 0.33
POLB P06746 1/20 0.32
AR P10275 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
STK17B O94768 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL13624850 0.81 L3MBTL1 (0.33) WDR5POLBKMT2A
SCHEMBL13624852 0.77 TSHR (0.44)
SCHEMBL16978292 0.74 KCNH2 (0.42) ERN1WDR5CXCL12ARMAOB
SCHEMBL742262 0.68 MAOB (0.61) CXCL12SLC22A6SLC22A8MEN1RAB9A
SCHEMBL31498354 0.65 MAOB (0.57) POLBSLC22A6SLC22A8MEN1RAB9A
SCHEMBL28059609 0.64 APP (0.47) ERN1
SCHEMBL16978291 0.64 STK17B (0.39) ERN1CXCL12STK17BMAOB
SCHEMBL31509952 0.64 SLC6A2 (0.35)
SCHEMBL13369023 0.63 GAA (0.38) RAB9A
SCHEMBL13624848 0.63 ENPP2 (0.35) KMT2A

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 ERN1 2602/4885WDR5 650/4885CXCL12 4249/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 ERN1 2602/4885WDR5 650/4885CXCL12 4249/4885

“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.