SCHEMBL6723921

SCHEMBL6723921

CC(C)(C)c1cccc(OCc2ccccc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 2/20 0.58
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
LIPE Q05469 1/20 0.50
CA2 P00918 1/20 0.50
SGMS2 Q8NHU3 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.45
CYP2C19 P33261 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
HTR1A P08908 2/20 0.44

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
SCHEMBL9446223 0.84 RXRA (0.71) RXRARXRBRXRGMAPTTDP1
SCHEMBL11643569 0.82 MAPT (0.64) MAPTTDP1L3MBTL1MAPK1LIPE
SCHEMBL25946400 0.81 RXRA (0.55) RXRARXRBRXRGMAPTTDP1
Formaldehyde SCHEMBL27873826 0.80 RXRA (0.70) RXRARXRBRXRGMAPTTDP1
SCHEMBL2916468 0.80 CA2 (0.57) RXRARXRBRXRGMAPTTDP1
SCHEMBL6356278 0.79 MAPT (0.60) MAPTTDP1L3MBTL1MAPK1LIPE
SCHEMBL8497192 0.78 MAPT (0.65) RXRARXRBRXRGMAPTTDP1
SCHEMBL1637804 0.77 TDP1 (0.48) RXRARXRBRXRGMAPTTDP1
SCHEMBL7711466 0.77 RXRA (0.55) RXRARXRBRXRGMAPTTDP1
SCHEMBL4642584 0.77 ALOX5AP (0.55) RXRARXRBRXRGMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2004-12-23 US claimed
US-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2002-09-12 US claimed
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2004-12-23 US disclosed
US-6790868-B2 REDUCING THE PRESENCE OF MICROORGANISMS ON A SUBSTRATE OR IN A FLUID ENVIRONMENT WARNER-LAMBERT COMPANY 2004-09-14 US disclosed
US-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2002-09-12 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-20020128323-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same PAOX, NONO, TYR RXRA 984/4885RXRB 1095/4885RXRG 630/4885
US-20040259958-A1 Non-halogenated phenoxy and/or benzyloxy substituted phenols, antimicrobial compositions containing the same, and methods of using the same PAOX, NONO, TYR RXRA 984/4885RXRB 1095/4885RXRG 630/4885

“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.