SCHEMBL6098435

SCHEMBL6098435

CCC(Oc1cc(C=O)cc(OC)c1OC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
HTR1A P08908 3/20 0.47
HPGD P15428 2/20 0.47
HTR2C P28335 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 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
SCHEMBL4877555 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL2558195 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHTR1AHPGDHTR2C
Alcohol SCHEMBL28096074 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHTR1AHPGDHTR2C
SCHEMBL13901575 0.78 TUBB1 (0.51) ALDH1A1KDM4EHTR1AHPGDHTR2C
SCHEMBL96635 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EHTR1AHPGDHTR2C
SCHEMBL16619850 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EHTR1AHPGDHTR2C
SCHEMBL9862313 0.76 SMN1; SMN2 (0.47) KDM4EHSD17B10MAPK1SMN1; SMN2KMT2A
SCHEMBL7842504 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHTR1AHPGDHTR2C
SCHEMBL2559846 0.75 KMT2A (0.50) ALDH1A1KDM4EHTR1AHPGDHTR2C
Hydrochloric Acid SCHEMBL23711567 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EHTR1AHPGDHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation GORDEEV MIKHAIL F (US) 2002-12-05 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 WO 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-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L ALDH1A1 1371/4885KDM4E 1239/4885HTR1A 4486/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP ALDH1A1 1632/4885KDM4E 996/4885HTR1A 4488/4885

“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.