SCHEMBL641726

SCHEMBL641726

CCCCCCCC(N)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.43
FDPS P14324 2/20 0.43
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.39
DNM1 Q05193 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
GGPS1 O95749 1/20 0.37

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
SCHEMBL3073022 1.00 SMPD1 (0.43) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL4260580 1.00 SMPD1 (0.43) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL641208 0.97 FDPS (0.41) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL504337 0.90 FDPS (0.39) SMPD1FDPSTSHRTHRBOPRM1
Ammonia Solution, Strong SCHEMBL28391001 0.87 FDPS (0.38) SMPD1FDPSTSHROPRM1
SCHEMBL6568281 0.81 SMPD1 (0.45) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL3676595 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL9422192 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL123833 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL3677155 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077631-B2 Bulk polymerisation of polyoxazolidone BASF SE (DE) 2024-09-03 US disclosed
EP-3824012-B1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2022-09-07 EP disclosed
US-11180603-B2 Polyoxazolidones and production thereof BASF SE (DE) 2021-11-23 US disclosed
US-20210253782-A1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2021-08-19 US disclosed
EP-3824012-A1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2021-05-26 EP disclosed
WO-2020016276-A1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2020-01-23 WO disclosed
US-9493491-B2 Method of separating acids from chemical reaction mixtures by means of apolar amines BASF SE (DE) 2016-11-15 US disclosed
US-20160251384-A1 METHOD OF SEPARATING ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF APOLAR AMINES BASF SE (DE) 2016-09-01 US disclosed
US-9359269-B2 Method of separating acids from chemical reaction mixtures by means of apolar amines BASF SE (DE) 2016-06-07 US disclosed
US-20150057388-A1 ANTISTATIC POLYURETHANE BASF SE (DE) 2015-02-26 US disclosed
US-20090020112-A1 METHOD FOR BREAKING DOWN CELLULOSE BASF SE (DE) 2009-01-22 US disclosed
US-20080287684-A1 Method for Producing Ionic Liquids BASF SE (DE) 2008-11-20 US disclosed
US-20080287709-A1 Method of Separating Acids from Chemical Reaction Mixtures by Means of Apolar Amines BASF SE (DE) 2008-11-20 US disclosed
US-20080190321-A1 Cellulose Solutions in Ionic Liquids BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US disclosed
US-20080164440-A1 Solubility of Cellulose in Ionic Liquids With Addition of Amino Bases BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
US-20070269309-A1 Method for Operating a Liquid Ring Compressor BASF AKTIENGESELLSCHAFT (DE) 2007-11-22 US disclosed
US-20070095645-A1 Distillation of ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2007-05-03 US disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 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 (4 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-20080287684-A1 Method for Producing Ionic Liquids HACL2, HAO2, SLC6A12 SMPD1 3796/4885FDPS 3994/4885TSHR 1407/4885
US-20160251384-A1 METHOD OF SEPARATING ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF APOLAR AMINES APOB, ADAR, LIPA SMPD1 719/4885FDPS 2042/4885TSHR 917/4885
US-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B SMPD1 297/4885FDPS 1434/4885TSHR 1936/4885
US-20080287709-A1 Method of Separating Acids from Chemical Reaction Mixtures by Means of Apolar Amines APOB, ADAR, LIPA SMPD1 719/4885FDPS 2042/4885TSHR 917/4885

“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.