SCHEMBL93071

SCHEMBL93071

CCC(C)c1ccc(C(C)CC)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TSHR P16473 1/20 0.59
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
RORC P51449 1/20 0.49
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
ADRB2 P07550 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL29663703 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL3399797 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL14154101 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736608 0.90 GAA (0.58) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736849 0.90 TSHR (0.57) GAAALDH1A1USP2PKMHPGD
SCHEMBL487428 0.86 GAA (0.67) GAAALDH1A1USP2PKMHPGD
SCHEMBL339877 0.83 GAA (0.63) GAAALDH1A1USP2PKMHPGD
SCHEMBL683547 0.83 HSD17B10 (0.69) GAAALDH1A1USP2PKMHPGD
SCHEMBL3152462 0.82 GAA (0.62) GAAALDH1A1USP2PKMHPGD
SCHEMBL9336626 0.82 TSHR (0.72) GAAALDH1A1USP2PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989164-B1 N,N-Dialkylaniline azo dye solutions MORTON INT INC (US) 2001-12-12 EP claimed
JP-63199247-A None JP disclosed
CN-113337170-B Curable composition, cured product, near infrared absorbing filter, and method for producing same 东京应化工业株式会社 2024-04-05 CN disclosed
CN-117327362-A Curable resin composition 东京应化工业株式会社 2024-01-02 CN disclosed
CN-117215149-A Photosensitive resin composition 东京应化工业株式会社 2023-12-12 CN disclosed
CN-113337170-A Curable composition, cured product, near-infrared absorption filter, and method for producing same 东京应化工业株式会社 2021-09-03 CN disclosed
CN-107586255-A A kind of method for preparing alkyl phenol using catalyst with base of molybdenum catalyzed conversion phenolic compound 天津大学 2018-01-16 CN disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
EP-2146946-B1 (-)- stereoisomer of 2,6-di-sec-butylphenol and analogs thereof PHARMACOFORE INC (US) 2010-11-10 EP disclosed
US-7795450-B2 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2010-09-14 US disclosed
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2010-02-25 US disclosed
US-7619097-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2009-11-17 US disclosed
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2009-01-29 US disclosed
US-4892671-A FUEL AND OIL ADDITIVES CIBA-GEIGY CORPORATION (US) 1990-01-09 US disclosed
JP-S63199247-A LIQUID STABILIZER COMPOSITION FOR ORGANIC SUBSTANCE ADEKA ARGUS CHEM CO LTD 1988-08-17 JP disclosed
EP-0252007-A2 2-Propanol derivatives as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-01-07 EP 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR GAA 1169/4885ALDH1A1 852/4885USP2 1312/4885
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU GAA 3893/4885ALDH1A1 3725/4885USP2 4127/4885
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU GAA 3893/4885ALDH1A1 3725/4885USP2 4127/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU GAA 3893/4885ALDH1A1 3725/4885USP2 4127/4885

“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.