SCHEMBL1933261

SCHEMBL1933261

CCC(C)NCC(C)NC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4745292 0.86 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL9667176 0.82
SCHEMBL8776143 0.82
SCHEMBL49756 0.82
SCHEMBL172655 0.82
SCHEMBL9667218 0.82
Bromide SCHEMBL11537123 0.78 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL17041922 0.78 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL28225830 0.78 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
Hydrochloric Acid SCHEMBL6813796 0.78 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552990-B1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-19 EP claimed
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP claimed
US-20130018147-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-17 US claimed
WO-2011123241-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-06 WO claimed
US-20240376246-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-11-14 US disclosed
EP-4402191-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-07-24 EP disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 WO disclosed
US-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND ADEKA CORPORATION (JP) 2018-02-08 US disclosed
EP-2552990-B1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-19 EP disclosed
US-20140373918-A1 PHOTOVOL TAlC MODULES AND METHODS OF MAKING THE SAME PPG INDUSTRIES OHIO, INC. 2014-12-25 US disclosed
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP disclosed
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 US disclosed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US disclosed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
US-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
US-20070073030-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-03-29 US disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 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-20080004406-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885TP53 3269/4885HSP90AA1 4456/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 ALDH1A1 146/4885TP53 3740/4885HSP90AA1 3419/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885TP53 3269/4885HSP90AA1 4456/4885
US-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND DRD4, DRD2, DRD1 ALDH1A1 4120/4885TP53 3779/4885HSP90AA1 4758/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885TP53 3269/4885HSP90AA1 4456/4885

“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.