SCHEMBL504337

SCHEMBL504337

CCCCC(N)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
OPRM1 P35372 1/20 0.36
SMPD1 P17405 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL28391001 0.97 FDPS (0.38) FDPSOPRM1SMPD1TSHRLMNA
SCHEMBL641208 0.92 FDPS (0.41) FDPSOPRM1SMPD1TSHRTHRB
SCHEMBL3073022 0.90 SMPD1 (0.43) FDPSOPRM1SMPD1TSHRTHRB
SCHEMBL641726 0.90 SMPD1 (0.43) FDPSOPRM1SMPD1TSHRTHRB
SCHEMBL4260580 0.90 SMPD1 (0.43) FDPSOPRM1SMPD1TSHRTHRB
SCHEMBL14277926 0.85 FDPS (0.34) FDPSOPRM1
SCHEMBL640974 0.82 FDPS (0.35) FDPS
SCHEMBL25272663 0.78 FDPS (0.39) FDPSOPRM1SMPD1TSHRLMNA
SCHEMBL8367785 0.76 FDPS (0.38) FDPSOPRM1SMPD1TSHRLMNA
SCHEMBL27863382 0.76 NFKB1 (0.37) FDPSTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12115161-B2 Prophylactic and/or therapeutic agent for inflammatory diseases which contains pyrrolopyrimidine compound as active ingredient KEIO UNIVERSITY (JP) 2024-10-15 US disclosed
US-12077631-B2 Bulk polymerisation of polyoxazolidone BASF SE (DE) 2024-09-03 US disclosed
CN-112424253-B Bulk polymerization of polyoxazolidinones 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-112119063-B Method for producing 3-difluoromethylpyrazole compound, method for producing 3-difluoromethylpyrazole-4-carboxylic acid compound, and pyrazolidine compound 富士胶片株式会社 2023-10-17 CN disclosed
EP-3824012-B1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2022-09-07 EP disclosed
US-20210393634-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT KEIO UNIVERSITY (JP) 2021-12-23 US 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
EP-3821893-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT Keio University (JP) 2021-05-19 EP 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
US-5472880-A Adding a sterically hindered base to the solvent inducing the ionization of free amino acid, quantitatively measuring the conductivity THE QUEEN'S UNIVERSITY OF BELFAST (GB) 1995-12-05 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 (5 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 FDPS 3994/4885OPRM1 3124/4885SMPD1 3796/4885
US-20210393634-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT TPMT, IL1B, TSLP FDPS 250/4885OPRM1 4685/4885SMPD1 262/4885
US-12115161-B2 Prophylactic and/or therapeutic agent for inflammatory diseases which contains pyrrolopyrimidine compound as active ingredient TPMT, IL1B, TSLP FDPS 250/4885OPRM1 4685/4885SMPD1 262/4885
US-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B FDPS 1434/4885OPRM1 4835/4885SMPD1 297/4885
US-20080287709-A1 Method of Separating Acids from Chemical Reaction Mixtures by Means of Apolar Amines APOB, ADAR, LIPA FDPS 2042/4885OPRM1 1454/4885SMPD1 719/4885

“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.