SCHEMBL17537237

SCHEMBL17537237

CC(C)c1cccc(C(C)(O)C2CC2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 3/20 0.50
CYP3A4 P08684 2/20 0.50
CA2 P00918 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
FAAH O00519 1/20 0.50
CA1 P00915 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GABRB1 P18505 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 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
SCHEMBL17537169 0.94 GABRA1 (0.47) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL17537155 0.86 CA2 (0.34) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL17537112 0.85 GABRA1 (0.52) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL17972911 0.83 CYP3A4 (0.37) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL17537162 0.80 GABRA1 (0.46) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL19111886 0.79 GABRA1 (0.48) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL7745836 0.77 GABRA1 (0.64) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL56957 0.77 GABRA1 (0.64) GABRA1GABRB2CYP3A4CA2GABRG2
SCHEMBL17537184 0.77 CA2 (0.39) GABRA1GABRB2CA2TSHRALDH1A1
SCHEMBL13640241 0.76 GABRA1 (0.57) GABRA1GABRB2CYP3A4CA2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189834-B1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT HAISCO INNOVATIVE PHARMACEUTICAL PTE LTD (SG) 2024-01-17 EP disclosed
CN-113521038-A Anesthetic pharmaceutical composition and application thereof 海思科医药集团股份有限公司 2021-10-22 CN disclosed
US-10729666-B2 Use of GABAA receptor reinforcing agent in preparation of sedative and anesthetic medicament HAISCO CHENGDU PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-08-04 US disclosed
US-10729666-B2 Use of GABAA receptor reinforcing agent in preparation of sedative and anesthetic medicament HAISCO CHENGDU PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-08-04 US disclosed
CN-105384619-B Isopropyl phenol derivative and preparation method thereof 四川海思科制药有限公司 2020-05-29 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
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
CN-105579034-B A kind of GABAA receptor potentiators are used to prepare the purposes in the medicine of sedation anesthesia 海思科医药集团股份有限公司 2018-05-15 CN disclosed
US-20170290781-A1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT HAISCO INNOVATIVE PHARMACEUTICAL PTE. LTD. (SG) 2017-10-12 US disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
WO-2016034079-A1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT 四川海思科制药有限公司 2016-03-10 WO disclosed
WO-2016034079-A1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT 四川海思科制药有限公司 2016-03-10 WO disclosed
CN-105384607-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
CN-105384619-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
CN-104507899-A Phenol derivative, preparation method and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-04-08 CN 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 (3 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-10729666-B2 Use of GABAA receptor reinforcing agent in preparation of sedative and anesthetic medicament GABRA1, GABRA5, GABRA2 GABRA1 1/4885GABRB2 9/4885CYP3A4 263/4885
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 GABRA1 2665/4885GABRB2 3304/4885CYP3A4 24/4885
US-20170290781-A1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT GABRA1, GABRA5, GABRA2 GABRA1 1/4885GABRB2 9/4885CYP3A4 263/4885

“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.