SCHEMBL19984586

SCHEMBL19984586

CC(C)c1cc(=O)[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
ACE2 Q9BYF1 2/20 0.50
KDM4E B2RXH2 4/20 0.49
TNKS2 Q9H2K2 1/20 0.49
KMT2A Q03164 1/20 0.49
CSNK2A1 P68400 4/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIF11 P52732 1/20 0.43
AR P10275 1/20 0.42
THRB P10828 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SPR P35270 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL29893124 0.84 KIF11 (0.56) PARP1KDM4EKMT2ACSNK2A1DYRK1A
SCHEMBL27077383 0.84 KIF11 (0.56) PARP1KDM4EKMT2ACSNK2A1DYRK1A
SCHEMBL5037001 0.81 TNKS2 (0.68) PARP1KDM4ETNKS2KMT2ACSNK2A1
SCHEMBL19975372 0.76 AR (0.45) KDM4ETNKS2DYRK1AALDH1A1HPGD
SCHEMBL29892719 0.76 TNKS2 (0.59) PARP1KDM4ETNKS2KMT2ACSNK2A1
SCHEMBL27077413 0.76 TNKS2 (0.59) PARP1KDM4ETNKS2KMT2ACSNK2A1
SCHEMBL23830045 0.74 PARP1 (0.68) PARP1KDM4EKMT2ACSNK2A1CSNK2A2
SCHEMBL29620678 0.74 PARP1 (0.68) PARP1KDM4EKMT2ACSNK2A1CSNK2A2
SCHEMBL1771171 0.74 CYP1A2 (0.61) KDM4ETNKS2KMT2AALDH1A1HPGD
SCHEMBL14681052 0.73 KDM4E (0.51) KDM4EALDH1A1HPGDGAAAR

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PARP1 4326/4885ACE2 1167/4885KDM4E 2469/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS PARP1 4326/4885ACE2 1167/4885KDM4E 2469/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS PARP1 4326/4885ACE2 1167/4885KDM4E 2469/4885

“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.