SCHEMBL3220340

SCHEMBL3220340

O=C(O)c1ccc(Cl)c(-c2ccc(O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
SRD5A2 P31213 3/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 1/20 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
SCHEMBL3199834 0.98 TSHR (0.53) TSHRCA12CA1CA2CA3
SCHEMBL6254017 0.91 TSHR (0.61) TSHRCA12CA1CA9SRD5A2
SCHEMBL8082912 0.86 SRD5A2 (0.61) TSHRCA12CA1CA2CA3
SCHEMBL3205630 0.86 TSHR (0.55) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3207912 0.86 TSHR (0.55) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3200062 0.85 TSHR (0.59) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL3216304 0.84 EGFR (0.51) TSHRCA12CA1CA2CA6
SCHEMBL3203802 0.84 TSHR (0.53) TSHRSRD5A2ALDH1A1MAPTRXRA
SCHEMBL6058606 0.83 HSD17B10 (0.58) CA12CA1CA2CA3TYR
SCHEMBL3218450 0.83 PRKAB2 (0.52) TSHRSRD5A2HSD17B10ALDH1A1MAPT

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
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
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TSHR 4456/4885CA12 3701/4885CA1 3574/4885

“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.