SCHEMBL1726005

SCHEMBL1726005

C=CCOC(=O)C1C(=O)C=C(C)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1725501 0.81 TSHR (0.39) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL11303251 0.74 TSHR (0.33) TSHRALDH1A1
SCHEMBL3151180 0.72 ALDH1A1 (0.38) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL10885490 0.70 ALDH1A1 (0.36) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL10891280 0.70 TSHR (0.36) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL11051483 0.69 TSHR (0.39) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL27496531 0.69 ALDH1A1 (0.37) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL9798347 0.68 GAA (0.37) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL11524279 0.66 ALDH1A1 (0.39) TSHRTP53ALDH1A1KDM4EGAA
SCHEMBL4033195 0.65 CYP3A4 (0.39) TSHRTP53ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370207-A1 HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND Firmenich S.A. (CH) 2011-10-05 EP disclosed
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2011-08-04 US disclosed
EP-2344276-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES Firmenich S.A. (CH) 2011-07-20 EP disclosed
WO-2010061350-A1 HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND FIRMENICH SA (CH) 2010-06-03 WO disclosed
WO-2010038209-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2010-04-08 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-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES PNN, ADH5, NCL TSHR 3223/4885TP53 919/4885ALDH1A1 897/4885

“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.