SCHEMBL340375

SCHEMBL340375

C=Cc1cc(C(=O)c2ccccc2)ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.51
PTGS1 P23219 5/20 0.49
PTGS2 P35354 5/20 0.49
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
CENPE Q02224 1/20 0.43
MAPT P10636 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 0.93 TSHR (0.43) ELANEPTGS1PTGS2CYP1A2CYP2C19
SCHEMBL18360184 0.85 KMT2A (0.49) HPGDHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL31372250 0.85 KMT2A (0.49) HPGDHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL339283 0.82 ALDH1A1 (0.49) HPGDHDAC1HDAC8HDAC6MAPT
SCHEMBL339506 0.81 PARP10 (0.50) HDAC1HDAC8HDAC6MAPTSMN1; SMN2
SCHEMBL340328 0.80 MAPT (0.44) HPGDHDAC1HDAC8HDAC6MAPT
SCHEMBL18360185 0.78 HDAC1 (0.42) CYP1A2CYP2D6CYP2C19HDAC1HDAC8
SCHEMBL31372553 0.75 HDAC6 (0.48) CYP1A2CYP2D6CYP2C19HDAC6MAPT
SCHEMBL4262890 0.74 PTGS2 (0.45) PTGS1PTGS2CYP1A2SLC22A6
SCHEMBL15998600 0.74 CNR2 (0.37) CYP1A2CYP2C19HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827688-B1 NOVEL METATHESIS RUTHENIUM CATALYST BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
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 ELANE 1426/4885PTGS1 1487/4885PTGS2 528/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 ELANE 1426/4885PTGS1 1487/4885PTGS2 528/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 ELANE 1426/4885PTGS1 1487/4885PTGS2 528/4885

“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.