SCHEMBL339512

SCHEMBL339512

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RORC P51449 1/20 0.39
SLC9A1 P19634 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
SLC6A4 P31645 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL339511 1.00 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL7172382 0.79 CSNK2A1 (0.59) CSNK2A1TSHRRORCCYP1A2CYP2C9
SCHEMBL254820 0.78 TSHR (0.64) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL10639955 0.77 TRPV4 (0.50) TSHRPOLBHPGD
SCHEMBL16952522 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL14986712 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL19088280 0.76 TRPV4 (0.46) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL339091 0.76 ACLY (0.40) CSNK2A1HTR2ACYP1A2CYP2C9CYP2C19
SCHEMBL339092 0.76 ACLY (0.40) CSNK2A1HTR2ACYP1A2CYP2C9CYP2C19
SCHEMBL19540201 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B

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 CSNK2A1 4050/4885TSHR 3747/4885HTR2A 3985/4885
US-20100041844-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 CSNK2A1 4050/4885TSHR 3747/4885HTR2A 3985/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 CSNK2A1 4050/4885TSHR 3747/4885HTR2A 3985/4885

“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.