SCHEMBL6076536

SCHEMBL6076536

Cc1[nH]c2cc(C(=O)O)ccc2c1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
PARP1 P09874 3/20 0.46
KMO O15229 1/20 0.44
RAB9A P51151 1/20 0.44
DYRK1A Q13627 1/20 0.44
CSNK2A1 P68400 2/20 0.41
CCR3 P51677 1/20 0.41
S1PR1 P21453 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL10186873 0.86 PARP1 (0.46) KDM4EALDH1A1HPGDPARP1KMO
SCHEMBL14448734 0.86 KIF11 (0.51) KDM4EALDH1A1HPGDPARP1RAB9A
SCHEMBL50743 0.84 PARP1 (0.46) KDM4EALDH1A1HPGDPARP1KMO
SCHEMBL11961329 0.83 PARP1 (0.43) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL1173816 0.83 PARP1 (0.52) PARP1KMO
SCHEMBL19316391 0.83 GABRA1 (0.44) ALDH1A1PARP1RAB9ADYRK1ACSNK2A1
SCHEMBL5444969 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDPARP1KMT2A
SCHEMBL14435055 0.80 SCN9A (0.56) RAB9A
SCHEMBL19316500 0.79 PARP1 (0.42) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL6387931 0.78 HTR2A (0.44) PARP1KMODYRK1ACSNK2A1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
CN-109937201-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2019-06-25 CN disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
EP-2121696-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2011-01-05 EP disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 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 (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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885THRB 976/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885THRB 976/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 KDM4E 2494/4885ALDH1A1 2367/4885THRB 2065/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885THRB 976/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT KDM4E 2022/4885ALDH1A1 119/4885THRB 2706/4885

“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.