SCHEMBL429128

SCHEMBL429128

CC(=O)c1cccc(C(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
LMNA P02545 3/20 0.61
GABRB2 P47870 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRB1 P18505 2/20 0.61
FAAH O00519 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR2C P28335 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
HTR2B P41595 1/20 0.61
GABRA2 P47869 1/20 0.61

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
SCHEMBL29484676 1.00 GABRA1 (0.61) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL8680640 0.86 GABRA1 (0.64) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL31123826 0.86 GABRA1 (0.64) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL39140 0.84 HPGD (0.61) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL20853605 0.84 GABRA1 (0.61) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL31011017 0.84 HPGD (0.61) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL1635308 0.83 GABRA1 (0.50) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL29567244 0.83 GABRA1 (0.50) GABRA1LMNAGABRB2GABRG2GABRB3
SCHEMBL19329438 0.82 GABRA1 (0.59) GABRA1LMNAGABRB2GABRG2GABRB3
Bicarbonate SCHEMBL236924 0.82 GABRA1 (0.59) GABRA1LMNAGABRB2GABRG2GABRB3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132445-A1 PHENOL DERIVATIVE AND APPLICATION THEREOF IN MEDICAMENTS Hinye Pharmaceutical Co., Ltd. (CN) 2024-04-25 US disclosed
EP-4286359-A1 PHENOL DERIVATIVE AND APPLICATION THEREOF IN MEDICAMENTS Hinye Pharmaceutical Co., Ltd. (CN) 2023-12-06 EP disclosed
CN-115181369-A No-blooming BIPB vulcanized ethylene propylene diene monomer rubber and preparation method thereof 遂宁森帝汽配制造有限责任公司 2022-10-14 CN disclosed
WO-2022063254-A1 PHENOL DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 天地恒一制药股份有限公司 2022-03-31 WO disclosed
CN-114249652-A Phenol derivative and application thereof in medicine 天地恒一制药股份有限公司 2022-03-29 CN disclosed
CN-105384607-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-08-16 CN disclosed
CN-105384607-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 US disclosed
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 US disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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 (5 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 GABRA1 399/4885LMNA 3622/4885GABRB2 704/4885
US-20240132445-A1 PHENOL DERIVATIVE AND APPLICATION THEREOF IN MEDICAMENTS GABRA2, GABRA1, GABRA4 GABRA1 2/4885LMNA 1497/4885GABRB2 7/4885
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics GABRP, CYP4F11, CYP2F1 GABRA1 14/4885LMNA 1435/4885GABRB2 67/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 GABRA1 390/4885LMNA 3166/4885GABRB2 647/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 GABRA1 399/4885LMNA 3622/4885GABRB2 704/4885

“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.