SCHEMBL3229140

SCHEMBL3229140

CC(C)(C)c1cc[c]cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TYR P14679 3/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
MIF P14174 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CA2 P00918 4/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL5360670 0.84 ALDH1A1 (0.32) ALDH1A1TDP1TSHRALOX15SMN1; SMN2
SCHEMBL16719736 0.83 ALDH1A1 (0.31) ALDH1A1TDP1TSHRALOX15SMN1; SMN2
SCHEMBL225599 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRALOX15SMN1; SMN2
SCHEMBL677730 0.78 CA2 (0.33) ALDH1A1TDP1TSHRALOX15SMN1; SMN2
SCHEMBL16720063 0.78 HSP90AA1 (0.34)
SCHEMBL1519797 0.77 AR (0.32)
SCHEMBL29084727 0.76 CA2 (0.32) ALDH1A1TDP1TSHRCA2
SCHEMBL6918917 0.74 GABRA1 (0.35) ALDH1A1TDP1TSHRSMN1; SMN2CYP1A2
SCHEMBL3693116 0.73 CA2 (0.30) CA2
SCHEMBL3693169 0.73 CA2 (0.30) CA2

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
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
US-9856914-B2 Joint bearing lubricant system THE BOEING COMPANY (US) 2018-01-02 US disclosed
CN-106163517-A Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2016-11-23 CN disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
US-20150369285-A1 JOINT BEARING LUBRICANT SYSTEM THE BOEING COMPANY 2015-12-24 US disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
CN-104470518-A Pharmaceutical compositions and their administration VERTEX PHARMA 2015-03-25 CN disclosed
CN-101384172-B Solid forms of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide VERTEX PHARMA 2014-05-07 CN disclosed
EP-1625193-B1 BORATE ESTER LUBRICANT ADDITIVES BASF SE (DE) 2010-07-28 EP disclosed
CN-101522415-A Laminate comprising polycarbonate resin MGC FILSHEET CO LTD (JP) 2009-09-02 CN disclosed
US-7291581-B2 Borate ester lubricant additives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-11-06 US disclosed
US-20040235681-A1 Borate ester lubricant additives CIBA SPECIALTY CHEMICALS CORP. 2004-11-25 US disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ALDH1A1 725/4885TDP1 3384/4885TSHR 603/4885
US-20040235681-A1 Borate ester lubricant additives GRK1, BRSK1, EBPL ALDH1A1 1625/4885TDP1 2684/4885TSHR 2188/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885TDP1 2707/4885TSHR 552/4885

“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.