SCHEMBL737574

SCHEMBL737574

C=CC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNN4 O15554 3/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2B6 P20813 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
Hydrochloric Acid SCHEMBL28819316 0.95 MAPK1 (0.41) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL1061705 0.79 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9858671 0.79 TSHR (0.48) MAPK1ALDH1A1ALOX15MAPTKMT2A
SCHEMBL4450792 0.79 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL24243949 0.77 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL5682958 0.77
SCHEMBL10382218 0.77 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9858415 0.77 TSHR (0.52) ALDH1A1MAPTTSHR
SCHEMBL22361948 0.76 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL23747059 0.75 KIF11 (0.41) MAPK1ALDH1A1MAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 US claimed
WO-2012140574-A1 SUBSTITUTED CATECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-18 WO claimed
EP-0714425-B1 PROCESS FOR MAKING COMPOSITIONS FOR PURIFYING SEMICONDUCTOR PROCESS GASES TO REMOVE LEWIS ACID AND OXIDANT IMPURITIES THEREFROM MILLIPORE INVEST HOLDINGS LTD (US) 2001-05-30 EP claimed
US-5531971-A Process for purifying semiconductor process gases to remove lewis acid and oxidant impurities therefrom MILLIPORE INVESTMENT HOLDINGS LIMITED (US) 1996-07-02 US claimed
EP-0714425-A1 PROCESS AND COMPOSITION FOR PURIFYING SEMICONDUCTOR PROCESS GASES TO REMOVE LEWIS ACID AND OXIDANT IMPURITIES THEREFROM MILLIPORE INVESTMENT HOLDINGS LIMITED (US) 1996-06-05 EP claimed
EP-0283961-B1 Process and composition for purifying arsine, phosphine, ammonia and inert gases to remove Lewis acid and oxidant impurities therefrom MILLIPORE INVEST HOLDINGS (US) 1995-12-20 EP claimed
US-5385689-A Inert support containing active scavenging species formed by depositing sodium, potassium, rubidium and/or cesium or their alloys and pyrolyzing NOVAPURE CORPORATION (US) 1995-01-31 US claimed
WO-1995001409-A1 PROCESS AND COMPOSITION FOR PURIFYING SEMICONDUCTOR PROCESS GASES TO REMOVE LEWIS ACID AND OXIDANT IMPURITIES THEREFROM MILLIPORE INVESTMENT HOLDINGS LIMITED (US) 1995-01-12 WO claimed
EP-0291849-B1 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS BASF Aktiengesellschaft (DE) 1991-10-16 EP claimed
US-4797227-A Process and composition for purifying hydrogen selenide and hydrogen telluride, to remove moisture and oxidant impurities therefrom ADVANCED TECHNOLOGY MATERIALS INC. (US) 1989-01-10 US claimed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP claimed
US-4781900-A ANIONS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 1988-11-01 US claimed
EP-0283961-A2 Process and composition for purifying arsine, phosphine, ammonia and inert gases to remove Lewis acid and oxidant impurities therefrom MILLIPORE INVESTMENT HOLDINGS LIMITED (US) 1988-09-28 EP claimed
US-4761395-A SCAVENGERS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 1988-08-02 US claimed
US-4611039-A Wettable, gas permeable contact lens PRECISION-COSMET CO., INC. (US) 1986-09-09 US claimed
CN-111334002-B Earplug manufacturing material and preparation method thereof 湖南翰坤实业有限公司 2022-04-12 CN disclosed
CN-103906768-A Emulsion polymerization method using reactive emulsifying agent, aqueous polymer dispersion obtained by same, and polymer film DAI ICHI KOGYO SEIYAKU CO LTD 2014-07-02 CN disclosed
US-4603148-A Macroreticulate polymer scavengers for the removal of impurities from inert fluids HERCULES INCORPORATED (US) 1986-07-29 US disclosed
EP-0179969-A2 Use of scavengers for the removal of impurities from inert fluids HERCULES INCORPORATED (US) 1986-05-07 EP disclosed
US-4062883-A Polymer-bound metallocarborane catalyst product and process THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-12-13 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 (1 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-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA IL5, IL4, IL33 MAPK1 715/4885ALDH1A1 1102/4885TAAR1 2046/4885

“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.