SCHEMBL4943871

SCHEMBL4943871

COc1ccc(Br)c(C=O)c1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.59
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
PRKDC P78527 1/20 0.41
TSHR P16473 1/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL10834671 0.86 ERN1 (0.58) ERN1PRKDCALDH1A1ABCG2AMY1A
SCHEMBL31663469 0.83 ERN1 (0.66) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4374159 0.83 ERN1 (0.66) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19867383 0.81 ERN1 (0.42) ERN1ALDH1A1FNTAFNTBHPGD
SCHEMBL2172189 0.80 ERN1 (0.54) ERN1PRKDCTSHRALDH1A1HPGD
SCHEMBL12347532 0.80 ERN1 (0.54) ERN1PRKDCTSHRALDH1A1CYP1A2
SCHEMBL10163104 0.79 ERN1 (0.57) ERN1TUBB1PRKDCTSHRALDH1A1
SCHEMBL28496730 0.78 PTPN1 (0.50) ALDH1A1HPGDCYP2C19
SCHEMBL2743917 0.76 ERN1 (0.57) ERN1TUBB1PRKDCTSHRALDH1A1
SCHEMBL21823620 0.76 ERN1 (0.57) ERN1TUBB1PRKDCALDH1A1CYP1A2

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 43 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-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
US-8246971-B2 Compositions containing aromatic aldehydes and their use in treatment 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
EP-1299337-A4 HYDROXYPHENSTATIN AND THE PRODRUGS THEREOF UNIV ARIZONA STATE (US) 2004-10-13 EP disclosed
US-6777578-B2 INHIBITOR OF TUBULIN POLYMERIZATION; ANTINEOPLASTIC ACTIVITY ARIZONA BOARD OF REGENTS 2004-08-17 US disclosed
US-20030220304-A1 Hydroxyphenstatin and the prodrugs thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-11-27 US disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US disclosed
EP-1299337-A1 HYDROXYPHENSTATIN AND THE PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2003-04-09 EP disclosed
WO-2001081288-A1 HYDROXYPHENSTATIN AND THE PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2001-11-01 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 (7 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B ERN1 3025/4885TUBB4A 899/4885TUBB 2041/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ERN1 4597/4885TUBB4A 581/4885TUBB 468/4885
US-20030220304-A1 Hydroxyphenstatin and the prodrugs thereof TK1, TUBB8, PHPT1 ERN1 1210/4885TUBB4A 25/4885TUBB 9/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ERN1 4597/4885TUBB4A 581/4885TUBB 468/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ERN1 4597/4885TUBB4A 581/4885TUBB 468/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 ERN1 4634/4885TUBB4A 664/4885TUBB 548/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ERN1 3340/4885TUBB4A 1010/4885TUBB 1964/4885

“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.