SCHEMBL5517752

SCHEMBL5517752

CCC(=O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
TSHR P16473 1/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GRM5 P41594 1/20 0.46
PLA2G4B P0C869 4/20 0.45
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL9152703 0.91 NPC1 (0.51) NPC1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL9514585 0.88 TSHR (0.62) NPC1TSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL476827 0.88 TSHR (0.61) NPC1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL20324220 0.87 PPARG (0.49) NPC1ALDH1A1MAPTSMN1; SMN2PLA2G4B
SCHEMBL28568822 0.85 NPC1 (0.52) NPC1TSHRALDH1A1MAPTSMN1; SMN2
Formaldehyde SCHEMBL8658362 0.84 TSHR (0.56) NPC1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL6702666 0.84 TSHR (0.56) NPC1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7147100 0.83 NPC1 (0.57) NPC1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL23258691 0.82 ALDH1A1 (0.55) NPC1TSHRALDH1A1MAPTGRM5
SCHEMBL9956104 0.82 TSHR (0.54) NPC1TSHRALDH1A1MAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725792-A1 PREPARATION FOR NATURAL PRODUCT TRABECTEDIN CE Pharm Co.,Ltd (CN) 2020-10-21 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS MERCK PATENT GMBH (DE) 2013-10-17 US disclosed
WO-2012084121-A1 DIHYDROXYACETONE MONOETHER MERCK PATENT GMBH (DE) 2012-06-28 WO disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
EP-1232279-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 EP disclosed
WO-2001038292-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2001-05-31 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 (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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 NPC1 3630/4885TSHR 507/4885ALDH1A1 3053/4885
US-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB NPC1 2957/4885TSHR 4302/4885ALDH1A1 430/4885
US-20130272978-A1 DIHYDROXYACETONE MONOETHERS GNPAT, UGT1A7, UGT1A3 NPC1 4102/4885TSHR 3936/4885ALDH1A1 27/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB NPC1 2957/4885TSHR 4302/4885ALDH1A1 430/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS NPC1 689/4885TSHR 4821/4885ALDH1A1 2087/4885

“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.