SCHEMBL504336

SCHEMBL504336

CC(C)C(CCCCN)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.41
DNM1 Q05193 5/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
GSR P00390 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL640973 0.91 NFKB1 (0.35) NFKB1DNM1CA12CA1CA2
SCHEMBL30987407 0.81 LMNA (0.42) LMNATRPV1
SCHEMBL4301189 0.78 TRPV1 (0.44) NFKB1DNM1CA12CA1CA2
SCHEMBL9186569 0.78 TRPV1 (0.39) NFKB1GSRALDH1A1TRPV1
SCHEMBL640718 0.78 GABRR1 (0.39) ALDH1A1
Hydroxyamine SCHEMBL8703589 0.77 LMNA (0.48) NFKB1DNM1CA12CA1CA2
SCHEMBL22872687 0.77 NFKB1 (0.41) NFKB1DNM1CA12CA1CA2
SCHEMBL565324 0.77
SCHEMBL10953408 0.77 NFKB1 (0.41) NFKB1DNM1CA12CA1CA2
SCHEMBL104004 0.75

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 120 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
EP-3824012-B1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2022-09-07 EP disclosed
CN-110300772-B Polyoxazolidinones and process for their preparation 巴斯夫欧洲公司 2022-04-26 CN 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-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
CN-112424253-A Bulk polymerization of polyoxazolidinones 巴斯夫欧洲公司 2021-02-26 CN disclosed
US-20080287684-A1 Method for Producing Ionic Liquids BASF SE (DE) 2008-11-20 US disclosed
US-20080269477-A1 Solvent System Based on Molten Ionic Liquids, Its Production and Use for Producing Regenerated Carbohydrates BASF SE (DE) 2008-10-30 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 (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 NFKB1 4586/4885DNM1 1906/4885CA12 338/4885
US-20210393634-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT TPMT, IL1B, TSLP NFKB1 42/4885DNM1 2701/4885CA12 1916/4885
US-12115161-B2 Prophylactic and/or therapeutic agent for inflammatory diseases which contains pyrrolopyrimidine compound as active ingredient TPMT, IL1B, TSLP NFKB1 42/4885DNM1 2701/4885CA12 1916/4885
US-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B NFKB1 1814/4885DNM1 2824/4885CA12 507/4885

“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.