SCHEMBL3322744

SCHEMBL3322744

CO[C](C)CC[C](C)OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3322659 0.85 TSHR (0.45) TSHRALDH1A1MGAMGAASI
SCHEMBL25427462 0.79
SCHEMBL4272897 0.77
SCHEMBL28956046 0.75
SCHEMBL780083 0.72
SCHEMBL6432913 0.72
SCHEMBL1094115 0.69
Hydrochloric Acid SCHEMBL9241831 0.66
SCHEMBL20243535 0.63
SCHEMBL28094 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139904-B1 METHOD FOR THE PRODUCTION OF AN ALKENYL PHOSPHONIC ACID DERIVATIVE BASF SE (DE) 2013-10-16 EP disclosed
US-8318968-B2 Process for preparing an alkenylphosphonic acid derivative BASF SE (DE) 2012-11-27 US disclosed
US-20100121092-A1 PROCESS FOR PREPARING AN ALKENYLPHOSPHONIC ACID DERIVATIVE BASF SE (DE) 2010-05-13 US disclosed
US-7399876-B2 Preparation of an alkenylphosphonic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2008-07-15 US disclosed
US-7265242-B2 Process for the carbonylation of ethylenically or acetylenically unsaturated compounds SHELL OIL COMPANY (US) 2007-09-04 US disclosed
US-20060235241-A1 Process for the carbonylation of a conuugated diene SHELL OIL COMPANY 2006-10-19 US disclosed
EP-1330309-B1 CATALYST SYSTEM AND METHOD FOR CARBONYLATION BASF AG (DE) 2006-04-05 EP disclosed
US-20050192457-A1 Process for the carbonylation of ethylenically or acetylenically unsaturated compounds SHELL OIL COMPANY 2005-09-01 US disclosed
US-6916954-B2 Catalyst system and method for carbonylation BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20050113593-A1 Preparation of an alkenylphosphonic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2005-05-26 US disclosed
US-20050113602-A1 Preparation of an alkenylphosphonic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2005-05-26 US disclosed
EP-1528064-A1 Process for the preparation of an alkenyl phosphonic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
EP-1528065-A1 Process for the preparation of an alkenyl phosphonic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
EP-1203773-B1 Process for the preparation of alkenylphosphonic acid derivatives BASF AG (DE) 2004-08-11 EP disclosed
US-6723882-B2 Preparation of dialkyl ketones BASF AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
US-20030191339-A1 Catalyst system and method for carbonylation BASF AKTIENGESELLSCHAFT (DE) 2003-10-09 US disclosed
US-20030069450-A1 Preparation of dialkyl ketones BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
US-6534669-B2 Reacting phosphonic acid derivatives with alkynes in the presence of a metal complex catalyst system comprising nickel and a phosphine having at least two trivalent phosphorus atoms to obtain akenylphosphonic acid compound BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
US-20020077494-A1 Preparation of alkenylphosphonic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
EP-1203773-A1 Process for the preparation of alkenylphosphonic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP 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 (7 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-20050113602-A1 Preparation of an alkenylphosphonic acid derivative ALK, PHOSPHO1, INPP5B TSHR 3102/4885ALDH1A1 4323/4885MGAM 2162/4885
US-20050192457-A1 Process for the carbonylation of ethylenically or acetylenically unsaturated compounds C5, C9, CBR1 TSHR 2678/4885ALDH1A1 322/4885MGAM 4882/4885
US-20020077494-A1 Preparation of alkenylphosphonic acid derivatives PHOSPHO1, INPP5B, ALK TSHR 3226/4885ALDH1A1 3941/4885MGAM 2687/4885
US-20050113593-A1 Preparation of an alkenylphosphonic acid derivative ALK, PHOSPHO1, INPP5B TSHR 3307/4885ALDH1A1 4177/4885MGAM 2262/4885
US-20030069450-A1 Preparation of dialkyl ketones PDK2, PDK3, PDK4 TSHR 2785/4885ALDH1A1 2340/4885MGAM 2257/4885
US-20100121092-A1 PROCESS FOR PREPARING AN ALKENYLPHOSPHONIC ACID DERIVATIVE ALK, PHOSPHO1, PRKD1 TSHR 2853/4885ALDH1A1 1114/4885MGAM 1601/4885
US-20030191339-A1 Catalyst system and method for carbonylation CBR3, PCCA, CBR1 TSHR 4808/4885ALDH1A1 701/4885MGAM 3104/4885

“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.