SCHEMBL5901047

SCHEMBL5901047

COc1ccc2c(c1OC(C)=O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MIF P14174 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL28643739 0.83 ALDH1A1 (0.40) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL8960045 0.81 KDM4E (0.49) F3DRD2DRD1MEN1KMT2A
SCHEMBL11626560 0.78 ALDH1A1 (0.49) F3DRD2DRD1MEN1KMT2A
SCHEMBL5900986 0.77 MEN1 (0.40) MEN1KMT2AGBA1LMNAALDH1A1
SCHEMBL11727721 0.76 POLB (0.44) GBA1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4127686 0.74 ADRA1A (0.39) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL7270589 0.74 CA12 (0.50) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11722874 0.73 MAPT (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7675302 0.73 MEN1 (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4128903 0.73 CETP (0.48) F3DRD2DRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263763-B1 TUBULIN BINDING LIGANDS UNIV BAYLOR (US) 2007-07-25 EP disclosed
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs PINNEY KEVIN G 2006-06-29 US disclosed
US-7001926-B2 Tubulin binding agents and corresponding prodrug constructs OXIGENE, INC. (US) 2006-02-21 US disclosed
WO-2004087061-A2 TUBULIN BINDING AGENTS AND CORRESPONDING PRODRUG CONSTRUCTS OXIGENE, INC. (US) 2004-10-14 WO disclosed
US-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2004-03-04 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-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB F3 1427/4885DRD2 4064/4885DRD1 4218/4885
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB F3 1427/4885DRD2 4064/4885DRD1 4218/4885

“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.