SCHEMBL3640323

SCHEMBL3640323

CC(C)c1cc(Br)cc(C(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 1.00
GABRB1 P18505 5/20 1.00
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
GABRB2 P47870 3/20 0.58
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
FAAH O00519 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
GABRG2 P18507 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTR2B P41595 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL4644161 0.88 GABRA1 (0.78) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL13997556 0.86 GABRA1 (0.75) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL9967745 0.84 GABRA1 (0.72) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL282221 0.84 GABRA1 (0.72) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL28687967 0.82 GABRA1 (0.68) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL28687966 0.82 GABRA1 (0.68) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL18878389 0.81 GABRA1 (0.67) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL19130448 0.81 GABRA1 (0.67) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL22004173 0.80 GABRA1 (0.64) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL10322298 0.80 GABRA1 (0.64) GABRA1GABRB1CA1CA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160095823-A1 METHODS OF USING PROPOFOL DERIVATIVES FOR ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2016-04-07 US claimed
CN-103896743-A 2,6-diisopropyl-4-fluorophenol or salt and crystal form thereof as well as preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-07-02 CN claimed
EP-1965780-A2 SUBSTITUTED PHENOL DERIVATIVES AS ANALGESICS THE UNIVERSITY OF LIVERPOOL (GB) 2008-09-10 EP claimed
WO-2007071967-A2 SUBSTITUTED PHENOL DERIVATIVES AS ANALGESICS THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-28 WO claimed
US-20070142477-A1 ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-21 US claimed
CN-119350256-A Substituted phenol compound and preparation method and application thereof 中国药科大学 2025-01-24 CN disclosed
US-12121498-B2 Allosteric enhancing compound of GABAA receptor and preparation and use thereof XI'AN LIBANG ZHAOXIN BIOTECHNOLOGY CO., LTD (CN) 2024-10-22 US disclosed
EP-3845517-B1 GABA A RECEPTOR ALLOSTERIC ENHANCER COMPOUND AND PREPARATION AND USE THEREOF XIAN LIBANG ZHAOXIN BIOTECHNOLOGY CO LTD (CN) 2024-05-01 EP disclosed
CN-116693580-A Anthracene skeleton phenol oxygen single metallocene bimetallic catalyst, preparation method and application 万华化学集团股份有限公司 2023-09-05 CN disclosed
CN-113801004-A Phenyl bisphenol derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-12-17 CN disclosed
CN-109415285-B Phenyl bisphenol derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-12-14 CN disclosed
US-20210315836-A1 Allosteric Enhancing Compound of GABAA Receptor and Preparation and Use Thereof XI'AN LIBANG ZHAOXIN BIOTECHNOLOGY CO., LTD (CN) 2021-10-14 US disclosed
US-6110962-A FOR TREATING INSULIN RESISTANCE, TYPE II DIABETES, HYPERGLYCEMIA, MODULATING INSULIN LEVELS IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 US disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed
US-4311839-A Benzisothiazole and naphtho-1,2-thiazine compounds POLAROID CORPORATION (US) 1982-01-19 US disclosed
US-4181660-A 3-Substituted benz[d]isothiazole-1,1-dioxides POLAROID CORPORATION (US) 1980-01-01 US disclosed
US-4178447-A Novel synthesis of 3,3-substituted dihydrobenzisothiazole-1,1-dioxides and -2,3-dihydronaphtho-1,2-thiazine-1,1-dioxides POLAROID CORPORATION (US) 1979-12-11 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 (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-20210315836-A1 Allosteric Enhancing Compound of GABAA Receptor and Preparation and Use Thereof GABRP, GABRA1, GABRB1 GABRA1 2/4885GABRB1 3/4885CA1 2617/4885
US-20160095823-A1 METHODS OF USING PROPOFOL DERIVATIVES FOR ANALGESIA GRIN3A, OPRL1, GRIK5 GABRA1 9/4885GABRB1 29/4885CA1 257/4885
US-12121498-B2 Allosteric enhancing compound of GABAA receptor and preparation and use thereof GABRP, GABRA1, GABRB1 GABRA1 2/4885GABRB1 3/4885CA1 2617/4885
US-20070142477-A1 ANALGESIA GRIN3A, OPRL1, GABRA5 GABRA1 6/4885GABRB1 32/4885CA1 287/4885

“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.