SCHEMBL1246713

SCHEMBL1246713

CC(C)(C)c1cccc(C(C)(C)C)c1S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF11 P52732 1/20 0.39
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL1972678 0.87 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8419513 0.87 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2555602 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6582792 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22542228 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28427101 0.79 GABRA1 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28428274 0.78 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10547937 0.76 ALOX15 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10523675 0.75 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30772132 0.74 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250341-B Catalyst system containing metallocene compound and method for catalyzing olefin polymerization by using catalyst system 北京引发科技有限公司 2020-12-11 CN claimed
CN-112147731-B Optical filter, solid-state imaging device, and camera module JSR株式会社 2023-12-05 CN disclosed
US-20230340270-A1 CYANINE COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-26 US disclosed
CN-115010837-B High molecular weight functionalized polyolefin and preparation method thereof 中国科学院长春应用化学研究所 2023-08-25 CN disclosed
CN-114874370-B Ultra-high molecular weight functionalized isotactic polypropylene and preparation method thereof 中国科学院长春应用化学研究所 2023-05-26 CN disclosed
CN-113906060-B Method for producing copolymer 株式会社普利司通 2023-05-09 CN disclosed
CN-115010837-A High molecular weight functionalized polyolefin and preparation method thereof 中国科学院长春应用化学研究所 2022-09-06 CN disclosed
CN-114874370-A Ultrahigh molecular weight functionalized isotactic polypropylene and preparation method thereof 中国科学院长春应用化学研究所 2022-08-09 CN disclosed
CN-113906060-A Method for producing copolymer 株式会社普利司通 2022-01-07 CN disclosed
CN-108137756-B Multipolymer, rubber composition, crosslinked rubber composition, rubber product and tire 株式会社普利司通 2021-06-15 CN disclosed
US-6548699-B1 4,4*-(Isopropylidenedithio)-(2*,6*-di-tert-butylphenol)-(2,6-d i-tert-butylphenol-O*-acetic acid); antiarthritic, antiinflammatory agents; rheumatic and cardiovascular disorders ATHEROGENICS, INC. 2003-04-15 US disclosed
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-19 US disclosed
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-12 US disclosed
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-28 US disclosed
US-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-14 US disclosed
US-6147250-A TREATING DISEASES MEDIATED BY VASCULAR CELL ADHESION MOLECULE-1, INCLUDING CARDIOVASCULAR AND INFLAMMATORY DISEASES; SUCCINOBUCOL ATHEROGENICS, INC. (US) 2000-11-14 US disclosed
CN-1263522-A Compounds and methods for inhibiting VCAM-1 expression ATHEROGENICS INC (US) 2000-08-16 CN disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 WO disclosed
US-3992307-A BIS-PHOSPHORAMIDE CHEVRON RESEARCH COMPANY (US) 1976-11-16 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-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL CA2 3324/4885GABRA1 1428/4885GABRB2 1782/4885
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL CA2 3324/4885GABRA1 1428/4885GABRB2 1782/4885
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL CA2 3324/4885GABRA1 1428/4885GABRB2 1782/4885
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL CA2 3324/4885GABRA1 1428/4885GABRB2 1782/4885

“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.