Sugi Predict

Sugi Predict / Compounds / SCHEMBL1694828

SCHEMBL1694828

SCHEMBL1694828

CCOC(=O)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ YWHAG P61981 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ ALDH5A1 P51649 1/20 0.45
▸ ABAT P80404 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45

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
SCHEMBL4029398 0.89 LMNA (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4643463 0.86 CYP4F2 (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5092015 0.86 LMNA (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5201986 0.86 LMNA (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL286994 0.85 ALDH1A1 (0.59) MAPTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL31170840 0.85 ALDH1A1 (0.59) MAPTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL31085600 0.84 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL31085599 0.84 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL30848995 0.84 LMNA (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15270721 0.84 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438189-B Synthetic method of 3, 4-dihydroxy phenethyl alcohol 宁波申泰生物科技有限公司 2022-07-12 — — CN disclosed
CN-109438189-A A kind of synthetic method of 3,4- dihydroxyphenyl ethanol 宁波申泰生物科技有限公司 2019-03-08 — — CN disclosed
US-9995679-B2 Targeted probes of cellular physiology CARNEGIE MELLON UNIVERSITY (US) 2018-06-12 — — US disclosed
US-9995679-B2 Targeted probes of cellular physiology CARNEGIE MELLON UNIVERSITY (US) 2018-06-12 — — US disclosed
EP-2577309-B1 TARGETED PROBES OF CELLULAR PHYSIOLOGY UNIV CARNEGIE MELLON (US) 2016-11-23 — — EP disclosed
EP-2577309-B1 TARGETED PROBES OF CELLULAR PHYSIOLOGY UNIV CARNEGIE MELLON (US) 2016-11-23 — — EP disclosed
US-20130244891-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2013-09-19 — — US disclosed
US-20130244891-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2013-09-19 — — US disclosed
EP-2577309-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY Carnegie Mellon University (US) 2013-04-10 — — EP disclosed
WO-2011150079-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2011-12-01 — — WO disclosed
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 — — CN disclosed
US-7335673-B2 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 — — US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 — — US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 — — US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 — — US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 — — US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 — — WO disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 — — CN disclosed
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 — — US disclosed
EP-1325903-A1 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 — — EP 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 (4 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-20130244891-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY GLS, PCK1, NME4 MAPT 4319/4885LMNA 3119/4885ALDH1A1 4662/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A MAPT 1289/4885LMNA 877/4885ALDH1A1 915/4885
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage VCAM1, ICAM1, PTK2 MAPT 1510/4885LMNA 2733/4885ALDH1A1 194/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A MAPT 1289/4885LMNA 877/4885ALDH1A1 915/4885

“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.