SCHEMBL10031002

SCHEMBL10031002

CC(C)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
POLB P06746 2/20 0.72
ATM Q13315 1/20 0.72
PLEC Q15149 1/20 0.72
ALPL P05186 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
DNASE1L3 Q13609 1/20 0.46
PRMT1 Q99873 1/20 0.46
CYP3A4 P08684 2/20 0.45
QPCT Q16769 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MPO P05164 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL14044262 0.86 USP2 (0.77) USP2MEN1KMT2APOLBATM
SCHEMBL21945707 0.86 USP2 (0.59) USP2MEN1KMT2APOLBATM
SCHEMBL9883329 0.84 USP2 (0.77) USP2MEN1KMT2APOLBATM
SCHEMBL940682 0.84 MEN1 (1.00) USP2MEN1KMT2APOLBATM
SCHEMBL10167876 0.83 MEN1 (0.72) USP2MEN1KMT2APOLBATM
SCHEMBL12637647 0.83 USP2 (0.72) USP2MEN1KMT2APOLBATM
SCHEMBL16231516 0.82 USP2 (0.64) USP2MEN1KMT2APOLBATM
SCHEMBL7824274 0.82 USP2 (0.77) USP2MEN1KMT2APOLBATM
SCHEMBL10082363 0.82 USP2 (0.73) USP2MEN1KMT2APOLBATM
SCHEMBL16169467 0.81 MEN1 (0.68) USP2MEN1KMT2APOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 US disclosed
US-9295729-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2016-03-29 US disclosed
US-20150031861-A1 Chemical Modification of Antibodies UCL BUSINESS PLC (GB) 2015-01-29 US disclosed
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2013-08-15 US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 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 (6 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-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 USP2 2243/4885MEN1 1641/4885KMT2A 1777/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO USP2 3068/4885MEN1 3443/4885KMT2A 4234/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 USP2 2243/4885MEN1 1641/4885KMT2A 1777/4885
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF QPCT, CBR3, SSTR5 USP2 892/4885MEN1 495/4885KMT2A 3205/4885
US-20150031861-A1 Chemical Modification of Antibodies PTMS, FCGRT, PDIA5 USP2 705/4885MEN1 2404/4885KMT2A 1035/4885
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS CFTR, GNB1, GMPS USP2 4148/4885MEN1 2090/4885KMT2A 4450/4885

“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.