SCHEMBL339513

SCHEMBL339513

C=Cc1cc(F)ccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ACLY P53396 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AR P10275 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
P2RX3 P56373 3/20 0.34

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
SCHEMBL24996926 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL16952820 0.84 MAPT (0.38) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL6935704 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AIRAK4LMNA
SCHEMBL16951942 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL41984 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL13257964 0.80 P2RX3 (0.39) ALDH1A1MAPTHPGDLMNAPOLB
SCHEMBL2669476 0.79 NFE2L2 (0.47) ALDH1A1ARLMNAHTT
SCHEMBL340235 0.79 SCN9A (0.33) ALDH1A1
SCHEMBL12369333 0.79 MAPT (0.34) ALDH1A1MAPTARLMNAPOLB
SCHEMBL340634 0.79 MDM2 (0.40) ALDH1A1MAPTMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8288576-B2 Recyclable ruthenium catalysts for metathesis reactions ZANNAN SCITECH CO., LTD. (CN) 2012-10-16 US 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-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 2069/4885MAPT 2838/4885MEN1 4261/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 ALDH1A1 2069/4885MAPT 2838/4885MEN1 4261/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 ALDH1A1 2069/4885MAPT 2838/4885MEN1 4261/4885

“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.