SCHEMBL10045293

SCHEMBL10045293

CC(=O)CC(C)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL514097 0.80 ALDH1A1 (0.31) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL143938 0.80 SLC22A6 (0.38) ALDH1A1TDP1
SCHEMBL9438323 0.79
Ammonia Solution, Strong SCHEMBL22134457 0.78 TDP1 (0.40) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL7940858 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL82660 0.78 CYP2C19 (0.30) MMP1MMP2MMP3
SCHEMBL4658903 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL22396502 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL21315733 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL4183750 0.78 ECE1 (0.32) MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-31 US disclosed
WO-2016156075-A1 COMPOSITION COMPRISING A PESTICIDE AND ISONONANOIC ACID N,N-DIMETHYL AMIDE BASF SE (DE) 2016-10-06 WO disclosed
US-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS CYTEC IND INC (US) 2016-08-25 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8114813-B2 Heat transferrable dye in resin containing polyvinyl acetal modified with ketone FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed
WO-2008132434-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO disclosed
US-20080242540-A1 THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-7288509-B2 Compatibilization of esters with latices ROHM AND HAAS COMPANY (US) 2007-10-30 US disclosed
US-4002647-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1977-01-11 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 (2 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-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS ATIC, ALK, ME1 ALDH1A1 3529/4885TDP1 4266/4885MMP1 4323/4885
US-20230271998-A1 SOLID SUPPORT FOR SYNTHESIZING NUCLEIC ACID SEQUENCES AND METHODS FOR MAKING AND USING RNGTT, NSUN2, POLN ALDH1A1 4842/4885TDP1 453/4885MMP1 3674/4885

“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.