SCHEMBL3903006

SCHEMBL3903006

ClC(Cl)c1ccccc1[SeH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NR1I2 O75469 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30
CNR1 P21554 1/20 0.30
SLC6A2 P23975 1/20 0.30
ACAT1 P24752 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL3785333 0.78 TSHR (0.50) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL3911670 0.69 TSHR (0.41) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL947512 0.69 TSHR (0.50) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL30848757 0.69 TSHR (0.50) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL28757028 0.67
SCHEMBL258272 0.67 ESR1 (0.54) TSHRCYP2C9CYP2C19CYP3A4ADRA2A
SCHEMBL258651 0.67 TSHR (0.39) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL28548155 0.67 TSHR (0.39) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL2104519 0.67 TSHR (0.39) TSHRHIF1ACYP2C9CYP2C19KDM4E
SCHEMBL9194828 0.67 TSHR (0.39) TSHRHIF1ACYP2C9CYP2C19KDM4E

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 8 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
EP-1431302-B1 PROCESS FOR SYNTHESIS OF ORGANOMETALLIC COMPOUNDS SEKISUI CHEMICAL CO LTD (JP) 2009-03-18 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-7098355-B2 Process for synthesis of organometallic compounds SEKISUI CHEMICAL CO., LTD. (JP) 2006-08-29 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
US-20060030723-A1 Process for synthesis of organometallic compounds SEKISUI CHEMICAL CO., LTD. (JP) 2006-02-09 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
EP-1431302-A1 PROCESS FOR SYNTHESIS OF ORGANOMETALLIC COMPOUNDS SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-23 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 (2 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-20060030723-A1 Process for synthesis of organometallic compounds CYP4F12, CYP4F2, CYP4F11 TSHR 3234/4885HIF1A 4436/4885CYP2C9 224/4885
US-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material OSTC, PORCN, SQLE TSHR 4126/4885HIF1A 3371/4885CYP2C9 2024/4885

“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.