SCHEMBL3766987

SCHEMBL3766987

CC(C)(C)c1cc(C=O)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EGFR P00533 2/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPK14 Q16539 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
FLT3 P36888 3/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3771801 0.84 EGFR (0.33) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL21352373 0.80 ALDH1A1 (0.36) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL9004281 0.79 MEN1 (0.43) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL20939055 0.78 MEN1 (0.42) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL14213304 0.76 MEN1 (0.41) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL14213301 0.76 MEN1 (0.41) MEN1KMT2AEGFRNPC1RAB9A
SCHEMBL2326700 0.76
SCHEMBL1971278 0.75
SCHEMBL3763783 0.72 S1PR1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4160579 0.72 EGFR (0.50) MEN1KMT2AEGFRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 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 (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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 MEN1 929/4885KMT2A 3120/4885EGFR 2255/4885
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 MEN1 241/4885KMT2A 3539/4885EGFR 1397/4885

“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.