SCHEMBL339283

SCHEMBL339283

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
RORC P51449 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
PDK1 Q15118 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL340676 0.89 TSHR (0.43) ALDH1A1TSHRKMT2AHTTPDK1
SCHEMBL31372250 0.88 KMT2A (0.49) ALDH1A1TSHRKMT2AMEN1HPGD
SCHEMBL18360184 0.88 KMT2A (0.49) ALDH1A1TSHRKMT2AMEN1HPGD
SCHEMBL339506 0.86 PARP10 (0.50) ALDH1A1TSHRKMT2APOLBMAPT
SCHEMBL340328 0.85 MAPT (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL18360185 0.82 HDAC1 (0.42) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL340375 0.82 ELANE (0.51) ALDH1A1MAPTHPGDHIF1AKDM4E
SCHEMBL3274226 0.81 RORC (0.63) ALDH1A1POLBRORC
SCHEMBL31372553 0.79 HDAC6 (0.48) ALDH1A1TSHRMAPTHDAC6
SCHEMBL3279217 0.79 RORC (0.50) ALDH1A1KMT2APOLBMEN1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288576-B2 Recyclable ruthenium catalysts for metathesis reactions ZANNAN SCITECH CO., LTD. (CN) 2012-10-16 US disclosed
US-20120016093-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS ZANNAN SCITECH CO., LTD. (CN) 2012-01-19 US disclosed
US-8049025-B2 Recyclable ruthenium catalysts for metathesis reactions ZANNAN SCITECH CO., LTD. (CN) 2011-11-01 US disclosed
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS ZHENG-YUN JAMES ZHAN (CN) 2010-02-18 US disclosed
US-7632772-B2 Recyclable ruthenium catalysts for metathesis reactions Zhan, Zheng-Yun James (CN) 2009-12-15 US disclosed
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions ZHENG-YUN JAMES ZHAN (CN) 2007-02-22 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 (3 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-20120016093-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 ALDH1A1 2069/4885TSHR 3747/4885KMT2A 3126/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 ALDH1A1 2069/4885TSHR 3747/4885KMT2A 3126/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 ALDH1A1 2069/4885TSHR 3747/4885KMT2A 3126/4885

“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.