SCHEMBL4704505

SCHEMBL4704505

CCC(CC)(CC)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.65
ESR2 Q92731 13/20 0.65
CYP3A4 P08684 4/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 3/20 0.52
AR P10275 2/20 0.52
TSHR P16473 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR6 P50406 2/20 0.52
ESRRG P62508 2/20 0.52
SLC6A3 Q01959 2/20 0.52
TYR P14679 2/20 0.52
HPGD P15428 2/20 0.52
SHBG P04278 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL11567344 0.86 ESR1 (0.56) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL8858983 0.83 ESR1 (0.52) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL239232 0.81 ESR1 (0.50) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL16769061 0.80 ESR1 (0.56) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL258649 0.79 ESR1 (1.00) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL505601 0.79 ESR1 (0.65) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL2051070 0.77 ESR1 (0.73) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL49704 0.77 SHBG (0.64) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL19843843 0.77 ESR1 (0.62) ESR1ESR2CYP3A4LMNAHSD17B10
SCHEMBL561786 0.77 ESR1 (0.62) ESR1ESR2CYP3A4LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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 (1 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C ESR1 3878/4885ESR2 3495/4885CYP3A4 4680/4885

“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.