SCHEMBL3673788

SCHEMBL3673788

C=Cc1cc(OC(=O)C(C)C(C)C)ccc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
P2RX3 P56373 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.33
AKR1C3 P42330 1/20 0.33
ACHE P22303 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ELANE P08246 1/20 0.33
MDM2 Q00987 2/20 0.33
ERN1 O75460 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
ACACB O00763 1/20 0.32

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
SCHEMBL6578342 0.92 ALDH1A1 (0.39) ALDH1A1KMT2APARP10MDM2ERN1
SCHEMBL6935704 0.83 ALDH1A1 (0.41) ALDH1A1JUNNFKB1P2RX3IRAK4
SCHEMBL3688114 0.78 XDH (0.40) ALDH1A1P2RX3IRAK4KMT2ARORC
SCHEMBL16309558 0.77 JUN (0.45) ALDH1A1JUNNFKB1KMT2AERN1
SCHEMBL3682833 0.75 KMT2A (0.53) ALDH1A1KMT2APARP10ELANEACACB
SCHEMBL340676 0.75 TSHR (0.43) ALDH1A1KMT2APARP10ELANE
SCHEMBL16957470 0.74 MEN1 (0.40) P2RX3KMT2AAKR1C3ACACB
SCHEMBL31372250 0.74 KMT2A (0.49) ALDH1A1KMT2A
SCHEMBL18360184 0.74 KMT2A (0.49) ALDH1A1KMT2A
SCHEMBL339283 0.74 ALDH1A1 (0.49) ALDH1A1KMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584141-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2020-03-10 US disclosed
US-20190309001-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2019-10-10 US disclosed
US-10336781-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2019-07-02 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
EP-1313559-B2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2012-10-24 EP disclosed
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS HOVEYDA AMIR H 2010-11-18 US disclosed
US-7723255-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2010-05-25 US disclosed
EP-1313559-B1 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2009-11-11 EP disclosed
US-20050272598-A1 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE 2005-12-08 US disclosed
US-6921735-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2005-07-26 US disclosed
EP-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
US-20020107138-A1 Recyclable metathesis catalysts NATIONAL SCIENCE FOUNDATION 2002-08-08 US disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 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 (5 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-20190309001-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885JUN 1173/4885NFKB1 3970/4885
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885JUN 1173/4885NFKB1 3970/4885
US-10584141-B2 Recyclable metathesis catalysts DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885JUN 1173/4885NFKB1 3970/4885
US-10336781-B2 Recyclable metathesis catalysts DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885JUN 1173/4885NFKB1 3970/4885
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885JUN 1173/4885NFKB1 3970/4885

“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.