SCHEMBL3022977

SCHEMBL3022977

COCc1ccc(C(C(=O)O)(C(=O)O)C(C)(C)C)c([N+](=O)[O-])c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3022573 0.81 CDK8 (0.32) ALDH1A1POLBHPGDKDM4EL3MBTL1
SCHEMBL3016189 0.79 TDP1 (0.35) TDP1ALDH1A1TSHRPOLBHPGD
SCHEMBL4996473 0.70 SMN1; SMN2 (0.33) TDP1ALDH1A1TSHRHPGDNPSR1
SCHEMBL2437573 0.68 AR (0.35) TDP1ALDH1A1TSHRNPSR1
SCHEMBL4815221 0.66 TSHR (0.51) TDP1ALDH1A1TSHRPOLBHPGD
SCHEMBL5004221 0.66 SMN1; SMN2 (0.40) TDP1ALDH1A1TSHRPOLBHPGD
SCHEMBL5513040 0.65 CA2 (0.41) TDP1ALDH1A1TSHRPOLBHPGD
SCHEMBL6515361 0.64 TP53 (0.37) TDP1ALDH1A1TSHRPKM
SCHEMBL27946142 0.64 HPGD (0.47) TDP1ALDH1A1TSHRPOLBHPGD
SCHEMBL7077212 0.63 ALDH1A1 (0.36) TDP1ALDH1A1TSHRNPSR1PKM

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-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 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-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 TDP1 2927/4885ALDH1A1 1041/4885TSHR 263/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 TDP1 2927/4885ALDH1A1 1041/4885TSHR 263/4885

“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.