SCHEMBL3287319

SCHEMBL3287319

O=C1C=c2ccc3ccccc3c2=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2A6 P11509 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HPRT1 P00492 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
DNMT1 P26358 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CES1 P23141 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL3384886 0.92 HPRT1 (0.45) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL994780 0.86 PAX8 (0.38) PAX8HSD17B10CYP2A6TDP1ALDH1A1
Hydrochloric Acid SCHEMBL25188851 0.84 PAX8 (0.37) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL23840 0.75 ALDH1A1 (0.47) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL5313840 0.75 ALDH1A1 (0.47) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL2479044 0.73 CYP2A6 (0.44) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL21805847 0.73 ALDH1A1 (0.44) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL5133952 0.71 KDM4E (0.38) HSD17B10TDP1ALDH1A1KDM4EPARP1
SCHEMBL8661052 0.71 CYP2A6 (0.46) PAX8HSD17B10CYP2A6TDP1ALDH1A1
SCHEMBL4709428 0.69 GSTP1 (0.36) HSD17B10CYP2A6ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536193-A1 COMPOSITIONS Estrenue Pty Ltd (AU) 2025-04-16 EP disclosed
CN-119816300-A Composition and method for producing the same 埃斯特雷努埃私人有限公司 2025-04-11 CN disclosed
CN-118772223-A Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-10-15 CN disclosed
CN-111741965-B Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-06-25 CN disclosed
CN-118206604-A Synthesis method of monovalent gold catalyzed 1, 3-diene-1-carbonyl derivative 沈阳药科大学 2024-06-18 CN disclosed
WO-2023235935-A1 COMPOSITIONS •ESTRENUE PTY LTD (AU) 2023-12-14 WO disclosed
WO-2023143400-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 WO disclosed
CN-116514892-A Steroid compound, preparation method and application thereof 珂阑(上海)医药科技有限公司 2023-08-01 CN disclosed
CN-115448823-A Method for catalyzing allylic oxidation of olefin by heterogeneous iron catalyst 华中科技大学 2022-12-09 CN disclosed
EP-1175383-B1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PROD INC (US) 2018-03-14 EP disclosed
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed
EP-1501835-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-02-02 EP disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US disclosed
WO-2003090672-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-11-06 WO disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R PAX8 3268/4885HSD17B10 326/4885CYP2A6 552/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R PAX8 3251/4885HSD17B10 328/4885CYP2A6 552/4885

“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.