SCHEMBL10013306

SCHEMBL10013306

Cc1cc(C)cc(C(C)(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
TSHR P16473 2/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
HSPA5 P11021 1/20 0.37
TPMT P51580 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
ACHE P22303 2/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
C1S P09871 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
SCHEMBL18288154 0.94 PGK1 (0.43) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL15726901 0.87 GABRA1 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL765057 0.83 PGK1 (0.36) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL19507024 0.83 MEN1 (0.38) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL16261285 0.83 RAPGEF4 (0.46) PGK1PGK2RXRARXRB
SCHEMBL10582196 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL548187 0.81 GABRA1 (0.45) ALDH1A1SMN1; SMN2CA2TYRTSHR
Tert-Butanol SCHEMBL9346954 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL28473287 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL15459309 0.78 ERN1 (0.38) ALDH1A1SMN1; SMN2CA2POLBTYR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047669-A Method for methylation of quinone compounds by iron catalysis 南京师范大学 2024-05-17 CN claimed
CN-118047669-A Method for methylation of quinone compounds by iron catalysis 南京师范大学 2024-05-17 CN disclosed
US-20180077796-A1 RESIN COMPOSITION ELIMINATING VOLATILE LOSS OF INITIATING SPECIES FOR THE PREPARATION OF PRINTED CIRCUIT BOARD LAMINATES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-03-15 US disclosed
US-9888570-B2 Resin composition eliminating volatile loss of initiating species for the preparation of printed circuit board laminates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-02-06 US disclosed
CN-104203893-B The preparation method of 2-(2,3-3,5-dimethylphenyl)-1-propionic aldehyde LONZA LTD. (CH) 2016-02-03 CN disclosed
CN-104203893-A Method for preparation of 2-(2,3-dimethylphenyl)-1-propanal LONZA AG 2014-12-10 CN disclosed
US-20140343232-A1 RESIN COMPOSITION ELIMINATING VOLATILE LOSS OF INITIATING SPECIES FOR THE PREPARATION OF PRINTED CIRCUIT BOARD LAMINATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-11-20 US disclosed
US-20140315756-A1 Articles Having Localized Molecules Disposed Thereon and Methods of Producing Same PACIFIC BIOSCIENCES CALIFORNIA (US) 2014-10-23 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8772417-B2 Polyimide membranes and their preparation NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-07-08 US disclosed
US-8772202-B2 Articles having localized molecules disposed thereon and methods of producing same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-07-08 US disclosed
US-20120302459-A1 Articles Having Localized Molecules Disposed Thereon and Methods of Producing Same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-11-29 US disclosed
US-20120045955-A1 Resin Composition Eliminating Volatile Loss of Initiating Species for the Preparation of Printed Circuit Board Laminates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-23 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ALDH1A1 181/4885SMN1; SMN2 3546/4885CA2 7/4885

“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.