SCHEMBL9971744

SCHEMBL9971744

C[C@@H]1CC2(CCC1=O)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 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
SCHEMBL1187321 1.00 CA1 (0.34) CA1CA2CA4KMT2ACYP3A4
SCHEMBL21563102 0.77
SCHEMBL1603148 0.76 KDM4E (0.31) KMT2A
SCHEMBL231085 0.76
SCHEMBL19822417 0.76
SCHEMBL1603147 0.76 KDM4E (0.31) KMT2A
SCHEMBL822975 0.76
SCHEMBL31756543 0.76
SCHEMBL12524744 0.76 POLB (0.31)
SCHEMBL12555452 0.76 ALDH1A1 (0.31) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
US-8993547-B2 3-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-03-31 US disclosed
US-8642579-B2 1-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-04 US disclosed
US-8518917-B2 2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-27 US disclosed
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20110166170-A1 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 US disclosed
US-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 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 (4 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-20110166170-A1 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF MDN1, VASP, ATRIP CA1 900/4885CA2 437/4885CA4 3262/4885
US-20110082121-A1 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 CA1 4842/4885CA2 4786/4885CA4 4489/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 CA1 3872/4885CA2 3644/4885CA4 3132/4885
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 CA1 4393/4885CA2 4100/4885CA4 3735/4885

“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.