SCHEMBL3916563

SCHEMBL3916563

CC(C)c1ccccc1CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APAF1 O14727 1/20 0.45
MITF O75030 1/20 0.45
GABRA1 P14867 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
SCHEMBL10547284 0.87 KMT2A (0.46) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL2554055 0.83 AKR1B1 (0.55) LMNAKMT2AMAPTTDP1KDM4E
Hydrochloric Acid SCHEMBL10582878 0.81 AKR1B1 (0.53) LMNAKMT2AMAPTTDP1KDM4E
SCHEMBL7196858 0.80 MAPT (0.61) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL13518029 0.80 SIGMAR1 (0.49) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL9272837 0.79 LPAR1 (0.46) LMNAKMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL10864953 0.79 L3MBTL1 (0.46) LMNAKMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL6546538 0.79 LMNA (0.40) LMNAKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL10836426 0.79 GABRA1 (0.46) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL29718608 0.78 HSP90AA1 (0.47) LMNAKMT2ASMN1; SMN2HPGDMEN1

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
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
CN-100410234-C Catalyst for asymmetric synthesis using chiral Bronsted acid and asymmetric synthesis method using the same TOAGOSEI CO LTD (JP) 2008-08-13 CN disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
CN-1780810-A Asymmetric-synthesis catalyst based on chiral broensted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO LTD (JP) 2006-05-31 CN disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 EP disclosed
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 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 (1 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN LMNA 1162/4885KMT2A 2039/4885MAPT 3346/4885

“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.