SCHEMBL6941001

SCHEMBL6941001

COCCOCCOC(=O)OCCl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL6938048 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL6937043 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL6939385 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL5809555 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21877272 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL23962222 1.00 TSHR (0.37) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL6932478 0.94 TSHR (0.41) TSHRALDH1A1
SCHEMBL5438166 0.89 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3541324 0.89 TSHR (0.43) TSHRABCB11CYP3A4ADRA2BOPRD1
SCHEMBL3541649 0.89 TSHR (0.43) TSHRABCB11CYP3A4ADRA2BOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364101-A1 DICLOFENAC PRODRUG AND USE OF THE SAME Pumont Biotech Co., Ltd. (TW) 2023-11-16 US disclosed
EP-2894149-B1 Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2017-08-02 EP disclosed
EP-1339686-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2015-09-16 EP disclosed
EP-2894149-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2015-07-15 EP disclosed
CN-100368401-C Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2008-02-13 CN disclosed
CN-1589262-A Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2005-03-02 CN disclosed
EP-1339686-A2 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2003-09-03 EP disclosed
US-6525077-B2 Antiproliferative agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-02-25 US disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 US disclosed
WO-2002042265-A2 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2002-05-30 WO disclosed
US-5981558-A ANTIMICROBIAL ACTIVITY AND ANTITUMOR ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-11-09 US disclosed
EP-0918058-A1 DC 107 DERIVATIVES (1) KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-05-26 EP 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-20230364101-A1 DICLOFENAC PRODRUG AND USE OF THE SAME CYP2D6, CYP2C9, CYP2B6 TSHR 3045/4885ABCB11 206/4885CYP3A4 14/4885
US-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 TSHR 134/4885ABCB11 1185/4885CYP3A4 175/4885

“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.