SCHEMBL4945362

SCHEMBL4945362

COc1cc(C=O)c(C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERN1 O75460 7/20 0.52
PRKDC P78527 2/20 0.47
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
NQO2 P16083 2/20 0.43
CYP19A1 P11511 1/20 0.43
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL11064540 0.83 ERN1 (0.48) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL15119999 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL12311288 0.82 ERN1 (0.65) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1002582 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29459646 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL736513 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1619656 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL120483 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL31274281 0.80 TUBB4A (0.60) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL13076862 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1ERN1

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
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
CN-111848954-B Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2023-10-17 CN disclosed
CN-111848954-A Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2020-10-30 CN disclosed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2018-06-21 US disclosed
US-9895361-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2018-02-20 US disclosed
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2016-06-30 US disclosed
US-9107874-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2015-08-18 US disclosed
US-8496951-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2013-02-07 US disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 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 (8 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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885KDM4E 2261/4885TSHR 4387/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885KDM4E 2261/4885TSHR 4387/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885KDM4E 2261/4885TSHR 4387/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885KDM4E 2261/4885TSHR 4387/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885TSHR 3764/4885
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 ALDH1A1 88/4885KDM4E 1204/4885TSHR 1982/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885KDM4E 2261/4885TSHR 4387/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885TSHR 3764/4885

“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.