SCHEMBL1147656

SCHEMBL1147656

CC(C)(Cc1ccccc1)C(=O)C(C)(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
RIPK1 Q13546 3/20 0.47
TRPA1 O75762 1/20 0.47
MMP8 P22894 3/20 0.46
CYP1A2 P05177 2/20 0.46
RECQL P46063 1/20 0.46
FDPS P14324 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAPK1 P28482 1/20 0.45
CES2 O00748 1/20 0.44

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
SCHEMBL28318036 0.90 SMN1; SMN2 (0.47) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL517462 0.86 SMN1; SMN2 (0.57) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL28727407 0.84 SMN1; SMN2 (0.55) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL6552350 0.84 SMN1; SMN2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL28246706 0.84 HIF1A (0.55) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL8759 0.84 SLC6A2 (0.56) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL6722173 0.84 SMN1; SMN2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL9784950 0.83 TRPA1 (0.48) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL11617477 0.83 SMN1; SMN2 (0.48) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
Hydrochloric Acid SCHEMBL3136989 0.83 SLC6A2 (0.54) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072786-B Be suitable for the chipal compounds as asymmetric transfer hydrogenation catalyzer DPX HOLDINGS B.V. (NL) 2015-11-25 CN disclosed
US-7884223-B2 N-isopropylphenethylamine; N-(2,6-dimethoxybenzyl)1-phenethylamine; (R,R) N-(1-naphth-1-ylethyl)-1-phenethylamine; high activity; easily accessible DSM IP ASSETS B.V. (NL) 2011-02-08 US disclosed
EP-1824868-B1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM IP ASSETS BV (NL) 2010-06-02 EP disclosed
US-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-03-18 US disclosed
EP-2094624-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSMIP Assets B.V. (NL) 2009-09-02 EP disclosed
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation PATHEON HOLDINGS I B.V. (NL) 2008-10-30 US disclosed
WO-2008077610-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS DSM IP ASSETS B.V. (NL) 2008-07-03 WO disclosed
EP-1824868-A1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSMIP Assets B.V. (NL) 2007-08-29 EP disclosed
EP-1325013-B1 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM IP ASSETS BV (NL) 2006-09-13 EP disclosed
WO-2006050988-A1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM IP ASSETS B.V. (NL) 2006-05-18 WO disclosed
US-6989461-B2 Catalyst for asymmetric (transfer) hydrogenation DSM IP ASSETS B.V. (NL) 2006-01-24 US disclosed
US-20030199713-A1 Catalyst for asymmetric (transfer) hydrogenation JLL/DELTA DUTCH NEWCO B.V. (NL) 2003-10-23 US disclosed
EP-1325013-A2 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2002004466-A2 CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION DSM N.V. (NL) 2002-01-17 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 (3 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-20100069684-A1 ASSYMMETRIC HYDROGENERATION OF PROCHIRAL COMPOUNDS PDHB, ME1, PDHA1 SLC6A2 3895/4885TAAR1 3169/4885SMN1; SMN2 3083/4885
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation SLC30A6, SLC39A14, SLC30A5 SLC6A2 626/4885TAAR1 2344/4885SMN1; SMN2 4188/4885
US-20030199713-A1 Catalyst for asymmetric (transfer) hydrogenation MLX, ACSL3, MSL1 SLC6A2 3249/4885TAAR1 2703/4885SMN1; SMN2 2754/4885

“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.