SCHEMBL725985

SCHEMBL725985

CCc1cc(C)c(NC(C)CC)c(CC)c1NC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 3/20 0.33
GLP1R P43220 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
SCHEMBL2965438 0.89 ALDH1A1 (0.45) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL726976 0.86 LMNA (0.30) SMN1; SMN2
SCHEMBL725861 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL27726433 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL2972448 0.75 HCAR3 (0.39) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL2968661 0.74 ELANE (0.33) ALOX15SMN1; SMN2
SCHEMBL2967805 0.73 ALDH1A1 (0.42) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL3262475 0.73 L3MBTL1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL2550065 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL727589 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9

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 30 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
US-20130018147-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-17 US claimed
JP-4797063-B2 2011-10-19 JP claimed
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US claimed
JP-2008534585-A 2008-08-28 JP claimed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US claimed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP claimed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO claimed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 US claimed
US-20240376246-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-11-14 US disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 WO 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
US-20130018147-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-17 US disclosed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
WO-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO 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 (3 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 412/4885CYP3A4 1669/4885L3MBTL1 2969/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ALDH1A1 213/4885CYP3A4 2145/4885L3MBTL1 3784/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885CYP3A4 1669/4885L3MBTL1 2969/4885

“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.