SCHEMBL4621667

SCHEMBL4621667

Cc1cc(CC(C)C#N)cc(CC(C)C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
THRB P10828 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL28628703 0.81 CYP19A1 (0.38)
SCHEMBL9672981 0.78 ACACB (0.40) CTSLESR1ESR2
SCHEMBL26936224 0.78 ACACB (0.40) CTSLESR1ESR2
SCHEMBL4603880 0.78 TSHR (0.30) TSHR
SCHEMBL8763089 0.77 ESR2 (0.42) TSHRESR1ESR2
SCHEMBL16962399 0.74 NOS2 (0.43) PGK1PGK2TSHRESR1NR3C1
SCHEMBL23162729 0.74 ALDH1A1 (0.42) TSHR
SCHEMBL28147687 0.72 HTR2A (0.42) CTSSTSHR
SCHEMBL13593628 0.71 SIGMAR1 (0.52) TSHR
SCHEMBL1752148 0.71 SIGMAR1 (0.52) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080145946-A1 Impurity of anastrozole intermediate, and uses thereof PONTIROLI ALESSANDRO 2008-06-19 US disclosed
EP-1896398-A2 AN IMPURITY OF ANASTROZOLE INTERMEDIATE, AND USES THEREOF Sicor Inc. (US) 2008-03-12 EP disclosed
US-20070087441-A1 Impurity of anastrozole intermediate, and uses thereof SICOR, INC. 2007-04-19 US disclosed
WO-2007002720-A2 AN IMPURITY OF ANASTROZOLE INTERMEDIATE, AND USES THEREOF SICOR, INC. (US) 2007-01-04 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 (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-20070087441-A1 Impurity of anastrozole intermediate, and uses thereof CYP19A1, HSD17B11, SHBG CTSB 750/4885CTSL 1270/4885CTSS 2119/4885
US-20080145946-A1 Impurity of anastrozole intermediate, and uses thereof CYP19A1, HSD17B11, SHBG CTSB 750/4885CTSL 1270/4885CTSS 2119/4885

“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.