SCHEMBL4001233

SCHEMBL4001233

ClC(Cl)c1ccc(Sc2ccc(C(Cl)Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.41
NR1H2 P55055 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRNA7 P36544 1/20 0.41
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL29180108 0.90 TSHR (0.59) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL5075045 0.80 TSHR (0.67) TSHRMAPK1LMNAHPGDL3MBTL1
SCHEMBL28546386 0.78 SLC6A4 (0.50) TSHRNOS1MAOASLC6A4
SCHEMBL10621289 0.78 CHRNA7 (0.38) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL10338764 0.72 CHRNA7 (0.35) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL28518525 0.72 CHRNA7 (0.35) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL22655978 0.71 NR1H2 (0.48) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL2279013 0.71 MCL1 (0.53) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL8779780 0.71 NR1H2 (0.41) TSHRMAPK1NR1H2CYP3A4CHRNA7
SCHEMBL10597417 0.69 TSHR (0.53) TSHRMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1604964-B1 ZERO-VALENCE TRANSITION METAL COMPLEX AND METHOD OF SYNTHESIZING ORGANOMETALLIC COMPOUND FROM THE SAME AS STARTING MATERIAL SEKISUI CHEMICAL CO LTD (JP) 2009-06-10 EP disclosed
US-7361776-B2 Zero-valent transition metal complex and method for producing an organometallic compound using the same as a starting material SEKISUI CHEMICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material SEKISUI CHEMICAL CO., LTD. (JP) 2006-07-06 US disclosed
EP-1604964-A1 ZERO-VALENCE TRANSITION METAL COMPLEX AND METHOD OF SYNTHESIZING ORGANOMETALLIC COMPOUND FROM THE SAME AS STARTING MATERIAL SEKISUI CHEMICAL CO., LTD. (JP) 2005-12-14 EP 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 (1 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-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material OSTC, PORCN, SQLE TSHR 4126/4885MAPK1 3667/4885NR1H2 1233/4885

“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.