SCHEMBL4873327

SCHEMBL4873327

CCOC(=O)C1=CC=C[N+]=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL4178612 0.71 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4912716 0.68 TSHR (0.40) TSHRCA12CA1CA2CA7
SCHEMBL8860780 0.67 CYP1A2 (0.43) TSHRCA12CA1CA2CA7
SCHEMBL5552082 0.67 TSHR (0.39) TSHRCA12CA1CA2CA7
SCHEMBL11185011 0.63 TSHR (0.42) TSHRCA12CA1CA2CA7
Diethyl Phthalate SCHEMBL29404255 0.62 TSHR (1.00) TSHRCA12CA1CA2CA7
Diethyl Phthalate SCHEMBL22296 0.62 TSHR (1.00) TSHRCA12CA1CA2CA7
Diethyl Phthalate SCHEMBL5306972 0.62 TSHR (1.00) TSHRCA12CA1CA2CA7
SCHEMBL6053116 0.62 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL4467924 0.62 ALDH1A1 (0.41) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 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 (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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 TSHR 2425/4885CA12 4671/4885CA1 4716/4885

“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.