SCHEMBL2347747

SCHEMBL2347747

CCOC(=O)C[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.46
PTPN1 P18031 3/20 0.44
FAAH O00519 1/20 0.41
ALOX15 P16050 5/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2352043 1.00 BLM (0.48) BLMLMNAPTPN1FAAHALOX15
SCHEMBL2354229 1.00 BLM (0.48) BLMLMNAPTPN1FAAHALOX15
SCHEMBL2352236 1.00 BLM (0.48) BLMLMNAPTPN1FAAHALOX15
SCHEMBL4714338 1.00 BLM (0.48) BLMLMNAPTPN1FAAHALOX15
SCHEMBL2352087 1.00 BLM (0.48) BLMLMNAPTPN1FAAHALOX15
SCHEMBL3012285 0.98 BLM (0.46) BLMLMNAPTPN1FAAHALOX15
SCHEMBL11551970 0.98 BLM (0.46) BLMLMNAPTPN1FAAHALOX15
SCHEMBL11550633 0.87 FAAH (0.40) BLMPTPN1FAAHALOX15MGAM
SCHEMBL13484080 0.87 FAAH (0.41) BLMLMNAFAAHALOX15MGAM
SCHEMBL3780110 0.87 BLM (0.50) BLMLMNAPTPN1ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828159-B1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS BV (NL) 2011-08-17 EP claimed
US-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes DSM IP ASSETS B.V. (NL) 2008-02-14 US claimed
EP-1828159-A1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSMIP Assets B.V. (NL) 2007-09-05 EP claimed
WO-2006066863-A1 ASYMMETRIC HYDROGENATION OF ALKENNES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS B.V. (NL) 2006-06-29 WO claimed
US-8426617-B2 Asymmetric hydrogenation of alkenes using chiral iridium complexes DSM IP ASSETS B.V. (NL) 2013-04-23 US disclosed
EP-1828159-B1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS BV (NL) 2011-08-17 EP disclosed
US-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes DSM IP ASSETS B.V. (NL) 2008-02-14 US disclosed
EP-1828159-A1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSMIP Assets B.V. (NL) 2007-09-05 EP disclosed
WO-2006066863-A1 ASYMMETRIC HYDROGENATION OF ALKENNES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS B.V. (NL) 2006-06-29 WO disclosed
US-4160865-A Asymmetric synthesis HOFFMANN-LA ROCHE INC. (US) 1979-07-10 US disclosed
US-4151360-A Optically active amine salts HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4102909-A Optically active esters and amides HOFFMANN-LA ROCHE INC. (US) 1978-07-25 US disclosed
US-4094892-A CLAISEN REARRANGEMENT HOFFMANN-LA ROCHE INC. (US) 1978-06-13 US disclosed
US-4045475-A Optically active alcohols and lower esters thereof HOFFMANN-LA ROCHE INC. (US) 1977-08-30 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 (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-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes SQLE, FADS1, FADS2 BLM 3337/4885LMNA 4536/4885PTPN1 4692/4885

“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.