SCHEMBL339091

SCHEMBL339091

[CH]c1cc(F)ccc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
KCNH2 Q12809 5/20 0.39
TMEM97 Q5BJF2 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CSNK2A1 P68400 2/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL339092 1.00 ACLY (0.40) ACLYKCNH2TMEM97SIGMAR1MAPT
SCHEMBL5745812 0.79 MEN1 (0.50) ACLYKCNH2TMEM97SIGMAR1MAPT
SCHEMBL12569380 0.78 SLC6A4 (0.41) ACLYKCNH2TMEM97SIGMAR1MAPT
SCHEMBL12548311 0.76 KCNH2 (0.39) ACLYKCNH2TMEM97SIGMAR1MAPT
SCHEMBL10939237 0.76 CSNK2A1 (0.56) ACLYKCNH2CSNK2A1MEN1KMT2A
SCHEMBL24306428 0.76 NFE2L2 (0.46) KCNH2TMEM97SIGMAR1MAPTMEN1
SCHEMBL339511 0.76 CSNK2A1 (0.43) ACLYMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16953755 0.76 KCNH2 (0.39) ACLYKCNH2TMEM97SIGMAR1MAPT
SCHEMBL1136306 0.76 POLB (0.46) ACLYKCNH2TMEM97SIGMAR1CSNK2A1
SCHEMBL4349038 0.76 PKM (0.46) ACLYKCNH2TMEM97SIGMAR1MAPT

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 ACLY 4260/4885KCNH2 4403/4885TMEM97 2919/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 ACLY 4260/4885KCNH2 4403/4885TMEM97 2919/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 ACLY 4260/4885KCNH2 4403/4885TMEM97 2919/4885

“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.