SCHEMBL599342

SCHEMBL599342

CN(C)c1ccc(C(=O)OC2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
STS P08842 4/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
EPHX1 P07099 1/20 0.46

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
SCHEMBL110657 0.86 SMN1; SMN2 (0.68) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL28239717 0.84 SCN1A (0.46) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647562 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27667920 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27668237 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647433 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647429 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647410 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL27647587 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNPC1RAB9ASTS
SCHEMBL18821723 0.83 MAPT (0.62) SMN1; SMN2HTTNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913052-A1 Phototherapy compositions and methods OMJ Ireland Limited (PR) 2015-09-02 EP claimed
EP-1674095-B1 Phototherapy compositions OMJ IRELAND LTD (PR) 2014-08-20 EP claimed
EP-1674095-A1 Phototherapy compositions OMJ Ireland Limited (PR) 2006-06-28 EP claimed
US-20060134031-A1 Phototherapy compositions and methods MALLINCKRODT ENTERPRISES LLC 2006-06-22 US claimed
EP-2913052-A1 Phototherapy compositions and methods OMJ Ireland Limited (PR) 2015-09-02 EP disclosed
EP-1674095-B1 Phototherapy compositions OMJ IRELAND LTD (PR) 2014-08-20 EP disclosed
US-8481008-B2 Phototherapy compositions and methods THERAKOS, INC. (US) 2013-07-09 US disclosed
US-20120039825-A1 PHOTOTHERAPY COMPOSITIONS AND METHODS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2012-02-16 US disclosed
US-8057785-B2 Phototherapy compositions and methods OMJ IRELAND LIMITED (US) 2011-11-15 US disclosed
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090189127-A1 Optical resin lens and production method for optical resin material KONICA MINOLTA OTPO, INC. (JP) 2009-07-30 US disclosed
EP-1717607-A1 OPTICAL RESIN LENS AND METHOD FOR PRODUCING OPTICAL RESIN MATERIAL Konica Minolta Opto, Inc. (JP) 2006-11-02 EP disclosed
EP-1674095-A1 Phototherapy compositions OMJ Ireland Limited (PR) 2006-06-28 EP disclosed
US-20060134031-A1 Phototherapy compositions and methods MALLINCKRODT ENTERPRISES LLC 2006-06-22 US disclosed
CN-1246300-C Resorcinol derivatives PFIZER (US) 2006-03-22 CN disclosed
CN-1344250-A Resorcinol derivatives PFIZER (US) 2002-04-10 CN 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-20060134031-A1 Phototherapy compositions and methods VCL, TYR, TTPA SMN1; SMN2 3516/4885HTT 3211/4885NPC1 2551/4885
US-20120039825-A1 PHOTOTHERAPY COMPOSITIONS AND METHODS VCL, TYR, TTPA SMN1; SMN2 3516/4885HTT 3211/4885NPC1 2551/4885

“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.