SCHEMBL808497

SCHEMBL808497

CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
AOX1 Q06278 1/20 0.38
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL4821584 0.86 MEN1 (0.42) MEN1KMT2AL3MBTL1AOX1TSHR
SCHEMBL8987951 0.85 MEN1 (0.41) MEN1KMT2AL3MBTL1NPSR1PKM
SCHEMBL11534255 0.84 MEN1 (0.43) MEN1KMT2ATSHRTP53ALDH1A1
SCHEMBL8756382 0.83 EPHX2 (0.41) MEN1KMT2ATSHRTP53MAPK1
SCHEMBL4934443 0.83 EPHX2 (0.41) MEN1KMT2ATSHRTP53MAPK1
SCHEMBL11711810 0.83 EPHX2 (0.41) MEN1KMT2ATSHRTP53MAPK1
SCHEMBL7523648 0.81 GAA (0.45) MEN1KMT2AAOX1TSHRALDH1A1
SCHEMBL808442 0.80 MEN1 (0.39) MEN1KMT2AL3MBTL1AOX1TSHR
SCHEMBL11769205 0.79 TDP1 (0.36) MEN1KMT2AL3MBTL1AOX1TSHR
SCHEMBL3447753 0.79 MAPT (0.48) MEN1KMT2ATSHRTP53CYP1A2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678115-B1 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2011-11-16 EP claimed
US-20110264206-A1 Prosthetic Valve with Sealing Members and Methods of Use Thereof MEDTRONIC, INC. (US) 2011-10-27 US claimed
JP-2007509142-A 2007-04-12 JP claimed
EP-1678115-A2 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M Innovative Properties Company (US) 2006-07-12 EP claimed
WO-2005042462-A2 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-12 WO claimed
US-6838576-B1 Process for preparing functional group-containing olefinic compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-04 US claimed
EP-2789602-B1 Omega-halo-2-alkynal, method for producing the same, and method for producing conjugated Z-alken-yn-yl acetate using the same SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9550720-B2 Method for producing an ω-halo-2-alkynal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-24 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9376368-B2 Method for producing a conjugated Z-alken-yn-yl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-28 US disclosed
US-20050143599-A1 Process for preparing monoesters 3M INNOVATIVE PROPERTIES COMPANY 2005-06-30 US disclosed
WO-2005042462-A2 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-12 WO disclosed
US-6838576-B1 Process for preparing functional group-containing olefinic compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-04 US disclosed
EP-0939073-B1 Ester of 2,2-dimethyl-cyclopropanecarboxylic acid and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2002-12-04 EP disclosed
US-6225495-B1 PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-01 US disclosed
JP-2001072614-A PRODUCTION OF OLEFIN COMPOUND SUMITOMO CHEM CO LTD 2001-03-21 JP disclosed
EP-0939073-A1 Ester of 2,2-dimethyl-cyclopropanecarboxylic acid and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-01 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-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 MEN1 3090/4885KMT2A 4444/4885L3MBTL1 4138/4885
US-20050143599-A1 Process for preparing monoesters ADSL, COASY, AGPS MEN1 613/4885KMT2A 3292/4885L3MBTL1 4751/4885

“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.