SCHEMBL5085213

SCHEMBL5085213

CCC=C(OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
AKT1 P31749 2/20 0.42
KMT2A Q03164 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CES1 P23141 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.36
SRC P12931 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5513089 0.85 ATM (0.43) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL5513078 0.85 ATM (0.43) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL2090769 0.82 MEN1 (0.43) TSHRKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL7776207 0.82 AKT1 (0.44) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL22333681 0.82 MEN1 (0.43) TSHRKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL23152624 0.82 ATM (0.36) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL2089626 0.80 HTT (0.43) KMT2ALMNASMN1; SMN2MEN1HPGD
SCHEMBL817342 0.79 MTNR1A (0.35) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL7128884 0.79 CES1 (0.46) TSHRAKT1KMT2AMTNR1AMTNR1B
SCHEMBL11158196 0.79 AKT1 (0.41) TSHRAKT1KMT2AMTNR1AMTNR1B

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
EP-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof SOLVIAS AG (CH) 2007-01-11 US disclosed
EP-1658298-A2 NOVEL ORGANIC COMPOUNDS AND METAL COMPLEXES Solvias AG (CH) 2006-05-24 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO 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-20070010493-A1 Phospinite-imidazolines and metal complexes thereof H1-0, H1-2, H1-3 TSHR 507/4885AKT1 435/4885KMT2A 2514/4885

“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.