SCHEMBL888750

SCHEMBL888750

CC(C)C(=O)[C@H]1CCCO1

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
SCHEMBL8086658 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 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2022-07-07 US disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-11203591-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-12-21 US disclosed
US-20210115037-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2021-04-22 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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-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 (13 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR HPGD 2091/4885GAA 1362/4885NOS2 1511/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20210115037-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK HPGD 539/4885GAA 1464/4885NOS2 2377/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L HPGD 2143/4885GAA 169/4885NOS2 942/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-11203591-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK HPGD 539/4885GAA 1464/4885NOS2 2377/4885
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK HPGD 539/4885GAA 1464/4885NOS2 2377/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 HPGD 1166/4885GAA 250/4885NOS2 773/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR HPGD 2017/4885GAA 1486/4885NOS2 1368/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGD 1775/4885GAA 223/4885NOS2 3457/4885

“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.