SCHEMBL1114985

SCHEMBL1114985

COc1cc(CC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
APP P05067 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
PKM P14618 1/20 0.60
CA5A P35218 1/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RXRA P19793 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGER2 P43116 1/20 0.58
ATM Q13315 1/20 0.57

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
SCHEMBL31011346 1.00 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL2391945 0.94 SMPD1 (0.61) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL3817639 0.91 FFAR4 (0.55) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL10731769 0.90 MTNR1A (0.64) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL2392210 0.90 LMNA (0.59) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL2392671 0.89 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL29066085 0.89 MTNR1A (0.62) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL27637442 0.88 MTNR1A (0.54) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL6366353 0.87 NPC1 (0.59) NPC1RAB9AHPGDSMN1; SMN2MTNR1A
SCHEMBL6035750 0.87 MAPT (0.61) NPC1RAB9AHPGDSMN1; SMN2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
JP-2007537301-A 2007-12-20 JP claimed
EP-1756039-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-02 EP claimed
EP-1756039-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-02-28 EP claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
WO-2005112633-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-01 WO claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS NPC1 3543/4885RAB9A 2114/4885HPGD 3676/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS NPC1 3543/4885RAB9A 2114/4885HPGD 3676/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 NPC1 3732/4885RAB9A 711/4885HPGD 3145/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 NPC1 3601/4885RAB9A 789/4885HPGD 1878/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS NPC1 3543/4885RAB9A 2114/4885HPGD 3676/4885

“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.