SCHEMBL5044283

SCHEMBL5044283

O=C1CCCN1CCCI

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
TSHR P16473 1/20 0.46
ADRA1B P35368 4/20 0.43
ADRA1A P35348 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL5044334 0.87
SCHEMBL5424673 0.87 PIK3CD (0.54) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL730495 0.85 PIK3CD (0.48) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL19514132 0.85 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL5697292 0.85 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL989008 0.85 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL31632694 0.85 PIK3CD (0.52) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL4397526 0.83 PIK3CD (0.47) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL10481722 0.83 PIK3CD (0.50) PIK3CDKMT2AMEN1PKMMALT1
SCHEMBL261644 0.82 PIK3CD (0.58) PIK3CDKMT2AMEN1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572608-B1 HYDROFORMYLATION PROCESS FOR THE CONVERSION OF AN ETHYLENICALLY UNSATURATED COMPOUND TO AN ALCOHOL SHELL INT RESEARCH (NL) 2008-07-02 EP disclosed
US-7208606-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-04-24 US disclosed
US-7186868-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-03-06 US disclosed
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2007-02-08 US disclosed
EP-1572608-A1 HYDROFORMYLATION PROCESS FOR THE CONVERSION OF AN ETHYLENICALLY UNSATURATED COMPOUND TO AN ALCOHOL SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-09-14 EP disclosed
US-20040152928-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2004-08-05 US disclosed
WO-2004054946-A1 HYDROFORMYLATION PROCESS FOR THE CONVERSION OF AN ETHYLENICALLY UNSATURATED COMPOUND TO AN ALCOHOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-07-01 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 (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-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol ADH1C, ADH1A, ADH5 PIK3CD 2090/4885KMT2A 2268/4885MEN1 2394/4885
US-20040152928-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol ADH1C, ADH1A, ADH5 PIK3CD 2090/4885KMT2A 2268/4885MEN1 2394/4885

“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.