SCHEMBL251366

SCHEMBL251366

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.68
GABRB1 P18505 5/20 0.68
GABRB2 P47870 3/20 0.68
GABRG2 P18507 2/20 0.68
GABRB3 P28472 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
FAAH O00519 1/20 0.68
LMNA P02545 1/20 0.68
HPGD P15428 1/20 0.68
TSHR P16473 1/20 0.68
PTGS1 P23219 1/20 0.68
SLC6A2 P23975 1/20 0.68
HTR2C P28335 1/20 0.68
GABRA5 P31644 1/20 0.68
GABRA3 P34903 1/20 0.68
HTR2B P41595 1/20 0.68
GABRA2 P47869 1/20 0.68

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
SCHEMBL17533288 1.00 GABRA1 (0.68) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL17515123 1.00 GABRA1 (0.68) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL15914232 0.83 GABRA1 (0.50) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL2414429 0.82 GABRA1 (1.00) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL36245 0.82 GABRA1 (1.00) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL9908787 0.82 ALDH1A1 (0.48) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL17537144 0.82 TSHR (0.52) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL10968613 0.80 GABRA1 (0.94) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL1033835 0.80 GABRA1 (0.94) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL4088686 0.80 GABRA1 (0.94) GABRA1GABRB1GABRB2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US claimed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US claimed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US claimed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP claimed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP claimed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US claimed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP claimed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO claimed
CN-106278947-B Crystal form of phenol derivative and preparation method thereof 四川海思科制药有限公司 2020-03-06 CN disclosed
CN-106278947-A Crystal formation of phenol derivatives and preparation method thereof 四川海思科制药有限公司 2017-01-04 CN disclosed
CN-105555748-A Isopropyl phenol derivative and preparation method thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-05-04 CN disclosed
WO-2016026459-A1 ISOPROPYL PHENOL DERIVATIVE AND PREPARATION METHOD THEREOF 四川海思科制药有限公司 2016-02-25 WO disclosed
WO-2016026459-A1 ISOPROPYL PHENOL DERIVATIVE AND PREPARATION METHOD THEREOF 四川海思科制药有限公司 2016-02-25 WO disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
US-5414156-A Process for producing ortho-isopropylated phenol derivatives DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 1995-05-09 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 (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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885GABRB2 262/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885GABRB2 262/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B GABRA1 84/4885GABRB1 82/4885GABRB2 115/4885

“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.