SCHEMBL3000499

SCHEMBL3000499

COc1cc(OC)cc([Mg]Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 7/20 0.44
CYP1B1 Q16678 7/20 0.44
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4B1 P13584 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP2A7 P20853 2/20 0.39
CYP3A7 P24462 2/20 0.39
CYP2F1 P24903 2/20 0.39
CYP2C18 P33260 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2J2 P51589 2/20 0.39
CYP4F2 P78329 2/20 0.39

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
SCHEMBL18786828 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL31532481 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL29411044 0.77 ACHE (0.50) ALDH1A1CYP3A4CA1CA2CA7
SCHEMBL24031 0.77 ACHE (0.50) ALDH1A1CYP3A4CA1CA2CA7
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL559995 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL109480 0.74 CA1 (0.58) ALDH1A1CYP3A4CYP2A6CA1CA2
SCHEMBL14763753 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28416912 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28557531 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
EP-4590762-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS The Chemours Company FC, LLC (US) 2025-07-30 EP disclosed
CN-119998380-A Fluorinated resorcinol and hydroquinone analogs as curatives for fluoroelastomers 科慕埃弗西有限公司 2025-05-13 CN disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
WO-2024064107-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS THE CHEMOURS COMPANY FC, LLC (US) 2024-03-28 WO disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
EP-1075470-B1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS UNIV CONNECTICUT (US) 2003-08-13 EP disclosed
US-20030120094-A1 For improved binding of CB1/CB2 receptors; side effects reduction NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
US-20010009965-A1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2001-07-26 US disclosed
EP-1075470-A1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS THE UNIVERSITY OF CONNECTICUT (US) 2001-02-14 EP disclosed
WO-1999057106-A1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS THE UNIVERSITY OF CONNECTICUT (US) 1999-11-11 WO disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
US-4576964-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1986-03-18 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US 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 (6 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885CYP1A1 789/4885CYP1B1 1534/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885CYP1A1 789/4885CYP1B1 1534/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 ALDH1A1 1850/4885CYP1A1 290/4885CYP1B1 458/4885
US-11028052-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 ALDH1A1 1692/4885CYP1A1 1050/4885CYP1B1 1150/4885
US-20010009965-A1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS CNR1, CNR2, CHRNA1 ALDH1A1 2733/4885CYP1A1 196/4885CYP1B1 365/4885
US-20030120094-A1 For improved binding of CB1/CB2 receptors; side effects reduction CNR1, CNR2, CHRNA1 ALDH1A1 4204/4885CYP1A1 363/4885CYP1B1 436/4885

“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.