SCHEMBL11939338

SCHEMBL11939338

C/C=C/c1ccccc1OC(C)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL12635428 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL11939025 0.89 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL12635413 0.89 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL299525 0.85 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL13076776 0.84 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL2314005 0.79 KDM4E (0.45) ALDH1A1HPGDHTTMAPTLMNA
SCHEMBL11939429 0.79 KMT2A (0.58) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL14672769 0.79 KDM4E (0.45) ALDH1A1HPGDHTTMAPTLMNA
SCHEMBL11939336 0.79 KMT2A (0.58) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL11939024 0.77 KMT2A (0.45) ALDH1A1HPGDMAPTLMNAALOX12

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
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
US-7939668-B2 Ruthenium complexes as catalysts for metathesis reactions ROCHE PALO ALTO LLC (US) 2011-05-10 US disclosed
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions ROCHE PALO ALTO LLC 2009-11-05 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 (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-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX CYP3A4, CYP3A5, CYP3A7 ALDH1A1 1321/4885HPGD 621/4885SMN1; SMN2 4452/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE ALDH1A1 1641/4885HPGD 1607/4885SMN1; SMN2 4639/4885

“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.