SCHEMBL8086658

SCHEMBL8086658

CC(C)C(=O)C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
GAA P10253 1/20 0.45
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL888750 1.00 HPGD (0.45) HPGDGAANOS2ALDH1A1HTT
SCHEMBL888758 1.00 HPGD (0.45) HPGDGAANOS2ALDH1A1HTT
SCHEMBL22047383 0.94 HPGD (0.42) HPGDGAANOS2ALDH1A1HTT
SCHEMBL19913373 0.94 HPGD (0.42) HPGDGAANOS2ALDH1A1HTT
SCHEMBL22047386 0.83 HPGD (0.46) HPGDGAANOS2ALDH1A1HTT
Thiophene SCHEMBL27508217 0.81 HPGD (0.40) HPGDGAAALDH1A1HTTTSHR
SCHEMBL15377304 0.80 HPGD (0.42) HPGDGAANOS2ALDH1A1HTT
SCHEMBL6077735 0.80 NOS2 (0.42) HPGDGAANOS2ALDH1A1HTT
SCHEMBL28145524 0.80 TDP1 (0.44) HPGDGAANOS2ALDH1A1HTT
SCHEMBL27813128 0.77 GAA (0.30) HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2023-10-31 US disclosed
US-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 US disclosed
US-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 US disclosed
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 US disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-11034645-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2021-06-15 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-20200071257-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. (US) 2020-03-05 US disclosed
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists LOMMEN GUY R E 2007-07-19 US disclosed
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists LOMMEN GUY R E 2007-07-19 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US 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 (16 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP HPGD 347/4885GAA 559/4885NOS2 2049/4885
US-20200071257-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A HPGD 25/4885GAA 1269/4885NOS2 92/4885
US-11746113-B2 Labelled cannabinergic ligands and related analogs CNR1, CNR2, CHRND HPGD 360/4885GAA 4679/4885NOS2 977/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 HPGD 171/4885GAA 4099/4885NOS2 1285/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP HPGD 347/4885GAA 559/4885NOS2 2049/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 HPGD 954/4885GAA 4009/4885NOS2 2610/4885
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A HPGD 25/4885GAA 1269/4885NOS2 92/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-11034645-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A HPGD 25/4885GAA 1269/4885NOS2 92/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT HPGD 2788/4885GAA 2347/4885NOS2 1363/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR HPGD 2017/4885GAA 1486/4885NOS2 1368/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND HPGD 431/4885GAA 4681/4885NOS2 772/4885
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists CCR2, CCR1, CCR5 HPGD 1963/4885GAA 4880/4885NOS2 1594/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 HPGD 2453/4885GAA 3444/4885NOS2 3397/4885

“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.