SCHEMBL2303906

SCHEMBL2303906

Cc1cc(C(=O)O)ccc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
MYC P01106 2/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PTPN7 P35236 1/20 0.55
HTR3A P46098 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
ADRB1 P08588 2/20 0.51
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TTR P02766 2/20 0.47
NR4A1 P22736 1/20 0.47
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL29113608 0.85 GAA (0.64) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL30683883 0.85 GAA (0.64) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL581026 0.84 GAA (0.67) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL14688149 0.84 HTR3E (0.58) HSD17B10ALOX15HTR3AHTR3EHTR3B
SCHEMBL532443 0.84 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23073651 0.84 HTR3A (0.51) HSD17B10HTR3AHTR3EHTR3BHTR3D
SCHEMBL12752917 0.83 HSD17B10 (0.57) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL2307303 0.83 ADRB1 (0.50) HSD17B10ADRB1KDM4EGAAPOLB
SCHEMBL27950425 0.83 MYC (0.51) HSD17B10MYCKDM4EGAAPOLB
Hydrochloric Acid SCHEMBL710272 0.82 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 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 (1 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 HSD17B10 236/4885MYC 2629/4885ESR1 3552/4885

“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.