SCHEMBL3208217

SCHEMBL3208217

O=C(O)c1ccc(Cl)c(-c2cccc(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA6 P23280 1/20 0.55
CA9 Q16790 1/20 0.55
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
TSHR P16473 1/20 0.50
CHEK1 O14757 1/20 0.48
EGFR P00533 1/20 0.47
TTR P02766 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46

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
SCHEMBL3216304 0.92 EGFR (0.51) CA12CA1CA2CA6CA9
SCHEMBL3211804 0.85 KMO (0.62) TSHREGFRTTRRXRARXRB
SCHEMBL3200062 0.84 TSHR (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3211390 0.83 TSHR (0.49) TSHRRXRARXRBKMOALDH1A1
SCHEMBL14881351 0.83 NPC1 (0.50) TSHRTTRRXRARXRBKMO
SCHEMBL3205630 0.81 TSHR (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3220340 0.81 TSHR (0.55) CA12CA1CA2CA6CA9
SCHEMBL15332194 0.81 RXRA (0.51) TSHRRXRARXRBKMOMAPT
SCHEMBL2556752 0.80 TRIM24 (0.63) TSHRTTRRXRARXRBKMO
SCHEMBL3207475 0.80 SMN1; SMN2 (0.50) TSHRRXRARXRBMAPT

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CA12 3701/4885CA1 3574/4885CA2 2673/4885

“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.