SCHEMBL4945903

SCHEMBL4945903

COc1cc(C=O)cc(OC)c1Oc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.69
ALDH1A1 P00352 6/20 0.50
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
TSHR P16473 1/20 0.50
HTR1A P08908 1/20 0.50
ERN1 O75460 1/20 0.47

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
SCHEMBL4008475 0.89 TTR (0.60) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL26936576 0.88 ALDH1A1 (0.57) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL26936442 0.83 TTR (0.49) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL26936467 0.83 ALDH1A1 (0.52) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL26936489 0.83 TUBB1 (0.53) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL29145682 0.82 TTR (0.58) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL30633099 0.82 TTR (0.58) TTRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL2592579 0.81 TTR (0.88) TTRALDH1A1TSHRTRIM24HPGD
SCHEMBL31238528 0.81 TTR (1.00) TTRALDH1A1TSHRTRIM24HPGD
SCHEMBL1616189 0.81 TTR (1.00) TTRALDH1A1TSHRTRIM24HPGD

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 17 patents. 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
WO-2023237721-A1 DIARYL ETHER COMPOUND AND MANUFACTURING METHOD FROM LIGNIN ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2023-12-14 WO disclosed
EP-4289811-A1 DIARYL ETHER COMPOUND AND MANUFACTURING METHOD FROM LIGNIN École Polytechnique Fédérale de Lausanne (EPFL) (CH) 2023-12-13 EP 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-8268336-B2 Compositions containing aromatic aldehydes and their use in treatments SKINMEDICA, INC. (US) 2012-09-18 US disclosed
US-8246971-B2 Compositions containing aromatic aldehydes and their use in treatment SKINMEDICA, INC. (US) 2012-08-21 US disclosed
US-8246969-B2 Use in cosmetics and as topical, transdermal or systemic antiinflammatory pharmaceuticals SKINMEDICA, INC. (US) 2012-08-21 US disclosed
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments MERZ AESTHETICS, INC. (US) 2012-07-26 US disclosed
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments MERZ AESTHETICS, INC. (US) 2012-06-21 US disclosed
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT CUTANIX CORPORATION 2008-01-03 US disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 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 (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 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 TTR 229/4885ALDH1A1 4/4885TUBB4A 664/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TTR 188/4885ALDH1A1 4/4885TUBB4A 581/4885

“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.