SCHEMBL337729

SCHEMBL337729

CCOC(=O)C=C1CCC2(CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 3/20 0.39
KMT2A Q03164 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL17112853 0.92 ESR2 (0.40) ESR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22263473 0.87 ALDH1A1 (0.39) ESR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19722236 0.86 ESR2 (0.48) ESR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1188054 0.82 KMT2A (0.37) ALDH1A1KMT2APOLBSMN1; SMN2SPR
SCHEMBL24791077 0.81 ESR2 (0.47) ESR2ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL15798242 0.80 ESR2 (0.49) ESR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2502784 0.79
SCHEMBL16321630 0.79 ESR2 (0.48) ESR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1563963 0.78 ESR2 (0.50) ESR2ALDH1A1CYP3A4CYP2C19HPGD
SCHEMBL10000017 0.78 ALDH1A1 (0.31) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092071-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 DEGRADERS AND USES THEREOF UNIV MICHIGAN (US) 2026-04-02 US disclosed
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
WO-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-11-07 US disclosed
EP-3753926-B1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2024-10-09 EP disclosed
EP-4402276-A1 PROCESS TO PRODUCE (1 R, 4 R)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES Richter Gedeon Nyrt. (HU) 2024-07-24 EP disclosed
WO-2024064328-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
EP-4288426-A1 QUINOXALINE DERIVATIVES AND USES THEREOF Black Diamond Therapeutics, Inc. (US) 2023-12-13 EP disclosed
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 WO disclosed
US-20010007870-A1 Benzo(5,6)cyclohepta(1,2-b)pyridine derivatives administered as antitumor agents REMISZEWSKI STACY W (US) 2001-07-12 US disclosed
US-6211193-B1 BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE DERIVATIVES; ANTITUMOR AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2001-04-03 US disclosed
CN-1286690-A Compounds useful for inhibition of farnesyl protein transferase SCHERING CORP (US) 2001-03-07 CN disclosed
EP-0993459-A1 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-19 EP disclosed
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
WO-1998057955-A1 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
EP-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 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 (4 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-20010007870-A1 Benzo(5,6)cyclohepta(1,2-b)pyridine derivatives administered as antitumor agents HCCS, FNTB, CBR1 ESR2 2997/4885ALDH1A1 795/4885CYP3A4 883/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885ALDH1A1 219/4885CYP3A4 1482/4885
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF NQO2, NQO1, GLS ESR2 3354/4885ALDH1A1 701/4885CYP3A4 98/4885
US-20260092071-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 DEGRADERS AND USES THEREOF SMARCC2, SMARCC1, SMARCA2 ESR2 99/4885ALDH1A1 1136/4885CYP3A4 462/4885

“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.