SCHEMBL18664397

SCHEMBL18664397

CC(N)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
ESR2 Q92731 6/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
ADRB2 P07550 1/20 0.50
CYP3A4 P08684 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 2/20 0.45
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL20497350 1.00 ESR1 (0.54) ESR1ESR2PDCD1CD274ADRB2
SCHEMBL18664389 1.00 ESR1 (0.54) ESR1ESR2PDCD1CD274ADRB2
SCHEMBL633374 0.93 ESR1 (0.62) ESR1ESR2PDCD1CD274ADRB2
SCHEMBL2032476 0.93 ESR1 (0.62) ESR1ESR2PDCD1CD274ADRB2
SCHEMBL2037513 0.93 ESR1 (0.62) ESR1ESR2PDCD1CD274ADRB2
Bromide SCHEMBL23672238 0.90 ESR1 (0.59) ESR1ESR2PDCD1CD274ADRB2
Hydrochloric Acid SCHEMBL14830851 0.90 ESR1 (0.59) ESR1ESR2PDCD1CD274ADRB2
Hydrochloric Acid SCHEMBL8702706 0.90 ESR1 (0.59) ESR1ESR2PDCD1CD274ADRB2
Bromide SCHEMBL4909882 0.90 ESR1 (0.59) ESR1ESR2PDCD1CD274ADRB2
Iodide SCHEMBL29068279 0.90 ESR1 (0.59) ESR1ESR2PDCD1CD274ADRB2

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
CN-118108676-A Benzenesulfonamide compound, pharmaceutical composition and application thereof 中国药科大学 2024-05-31 CN disclosed
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
CN-108347942-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2021-09-03 CN disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-09-20 US disclosed
CN-108347942-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 CN disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 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 (2 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-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ESR1 2250/4885ESR2 1652/4885PDCD1 1438/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ESR1 2250/4885ESR2 1652/4885PDCD1 1438/4885

“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.