SCHEMBL871442

SCHEMBL871442

CCOC(=O)C1(C(=O)OCC)CC(OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.46
EPHX2 P34913 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
OPRM1 P35372 5/20 0.42
OPRL1 P41146 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL8053435 0.94 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8049068 0.93 ADAM17 (0.44) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8049066 0.92 EPHX2 (0.44) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8050802 0.92 ADAM17 (0.43) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL8536152 0.89 OPRM1 (0.47) ADAM17EPHX2ALDH1A1LMNAOPRM1
SCHEMBL15927866 0.87 ADAM17 (0.46) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL12277199 0.86 LMNA (0.46) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL15306513 0.86 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL297404 0.86 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1CYP3A4
SCHEMBL19348564 0.85 ADAM17 (0.44) ADAM17EPHX2TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 US disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
CN-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
CN-109641896-B Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2021-09-21 CN disclosed
EP-3478683-B1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-07-21 EP disclosed
US-20210188849-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-06-24 US disclosed
US-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed
EP-0689460-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1996-01-03 EP disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed
WO-1994019023-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 ADAM17 4118/4885EPHX2 3169/4885TSHR 2844/4885
US-20210188849-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS HAVCR2, NR1H4, NR1H2 ADAM17 713/4885EPHX2 1724/4885TSHR 3120/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 ADAM17 4132/4885EPHX2 3408/4885TSHR 4496/4885

“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.