SCHEMBL668289

SCHEMBL668289

CNC(C)C(OC(=O)c1ccccc1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 11/20 0.49
KDM4E B2RXH2 9/20 0.49
HPGD P15428 9/20 0.49
HSD17B10 Q99714 6/20 0.49
GAA P10253 1/20 0.46
ALOX15 P16050 2/20 0.44
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL14771596 1.00 LMNA (0.50) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771609 0.87 ALDH1A1 (0.47) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771613 0.87 ALDH1A1 (0.47) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771671 0.86 SMN1; SMN2 (0.45) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771678 0.86 SMN1; SMN2 (0.45) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL15823 0.85 LMNA (0.51) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL18171976 0.81 HSD17B10 (0.52) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771649 0.81 HSD17B10 (0.52) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771674 0.81 ESR1 (0.60) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL14771673 0.81 ESR1 (0.60) LMNATSHRALDH1A1KDM4EHPGD

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-20090259039-A1 Salts of physiologically active and psychoactive alkaloids and amines simultaneously exhibiting bioavailability and abuse resistance PISGAH LABORATORIES, INC. 2009-10-15 US claimed
US-20080293695-A1 Salts of physiologically active and psychoactive alkaloids and amines simultaneously exhibiting bioavailability and abuse resistance PISGAH LABORATORIES, INC. 2008-11-27 US claimed
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS DANMARKS TEKNISKE UNIVERSITET (DK) 2013-08-08 US disclosed
EP-2544664-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS Danmarks Tekniske Universitet (DK) 2013-01-16 EP disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
WO-2011110662-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS DANMARKS TEKNISKE UNIVERSITET (DK) 2011-09-15 WO disclosed
WO-2010078300-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-07-08 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 (4 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-20080293695-A1 Salts of physiologically active and psychoactive alkaloids and amines simultaneously exhibiting bioavailability and abuse resistance SLC6A2, SLC18A2, SLC6A3 LMNA 4559/4885TSHR 1831/4885ALDH1A1 133/4885
US-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS MIF, BMP2, BMP4 LMNA 911/4885TSHR 4097/4885ALDH1A1 2373/4885
US-20090259039-A1 Salts of physiologically active and psychoactive alkaloids and amines simultaneously exhibiting bioavailability and abuse resistance SLC18A2, SLC18A1, SLC6A2 LMNA 4054/4885TSHR 1736/4885ALDH1A1 182/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 LMNA 2694/4885TSHR 3455/4885ALDH1A1 3146/4885

“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.