SCHEMBL340676

SCHEMBL340676

C=Cc1cc(C(=O)c2ccc(OC(C)C)c(C=C)c2)ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDK1 Q15118 1/20 0.40
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39

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
SCHEMBL340375 0.93 ELANE (0.51) CYP1A2CYP3A4CYP2C19ELANEALDH1A1
SCHEMBL339283 0.89 ALDH1A1 (0.49) TSHRALDH1A1HTTPDK1KMT2A
SCHEMBL18360184 0.89 KMT2A (0.49) TSHRCYP2C9ALDH1A1LMNAHTT
SCHEMBL31372250 0.89 KMT2A (0.49) TSHRCYP2C9ALDH1A1LMNAHTT
SCHEMBL339506 0.88 PARP10 (0.50) TSHRALDH1A1LMNAHTTPDK1
SCHEMBL340328 0.86 MAPT (0.44) ALDH1A1LMNAHTTKMT2AGAA
SCHEMBL18360185 0.84 HDAC1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL31372553 0.81 HDAC6 (0.48) TSHRCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6935704 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTKMT2APARP10
SCHEMBL339513 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHTTL3MBTL1KMT2A

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 TSHR 3747/4885CYP1A2 486/4885CYP3A4 220/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 TSHR 3747/4885CYP1A2 486/4885CYP3A4 220/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 TSHR 3747/4885CYP1A2 486/4885CYP3A4 220/4885

“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.