SCHEMBL473168

SCHEMBL473168

NCCCC(CN)CCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NFKB1 P19838 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL16689964 0.97 ALDH1A1 (0.40) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL713294 0.94 ALDH1A1 (0.46) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL2888115 0.90 ALDH1A1 (0.43) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL25323554 0.88 DNM1 (0.44) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL199628 0.88 NFKB1 (0.44) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL24176856 0.88 ALDH1A1 (0.42) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL10044829 0.87 NFKB1 (0.40) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL1276021 0.87 NFKB1 (0.40) ALDH1A1TDP1NFKB1CA12CA1
SCHEMBL5821217 0.87
SCHEMBL39985 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250079161-A1 DEPOSITION OF ORGANIC MATERIAL ASM IP HOLDING B.V. (NL) 2025-03-06 US claimed
US-20240368335-A1 PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE BASF SE (DE) 2024-11-07 US claimed
EP-4347556-A1 PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE BASF SE (DE) 2024-04-10 EP claimed
WO-2022248448-A1 PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE BASF SE (DE) 2022-12-01 WO claimed
EP-2128128-B1 Separating ammonium chloride from the gas phase BAYER IP GMBH (DE) 2015-07-29 EP claimed
CN-101591268-B Separating ammonium chloride from the gas phase of isocyanates production process BAYER MATERIALSCIENCE AG DE 2015-06-24 CN claimed
US-20100010257-A1 SEPARATION OF AMMONIUM CHLORIDE FROM THE GAS PHASE OF AN ISOCYANATE PRODUCTION PROCESS BAYER MATERIALSCIENCE AG (DE) 2010-01-14 US claimed
EP-2128127-A1 Separating ammonium chloride from the gas phase Bayer MaterialScience AG (DE) 2009-12-02 EP claimed
EP-2128128-A1 Separating ammonium chloride from the gas phase Bayer MaterialScience AG (DE) 2009-12-02 EP claimed
CN-101591268-A Separation of ammonium chloride from the gas phase of an isocyanate production process BAYER MATERIALSCIENCE AG (DE) 2009-12-02 CN claimed
US-20020123644-A1 ALIPHATIC TRIISOCYANATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND POLYURETHANE RESIN MADE FROM THE COMPOUND NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2002-09-05 US claimed
EP-1020435-A1 ALIPHATIC TRIISOCYANATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND POLYURETHANE RESIN MADE FROM THE COMPOUND Nippon Kasei Chemical Company Limited (JP) 2000-07-19 EP claimed
EP-0749958-B1 Process for the preparation of triisocyanates BAYER AG (DE) 1999-10-20 EP claimed
US-5633396-A Process for preparing triisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1997-05-27 US claimed
EP-0749958-A1 Process for the preparation of triisocyanates BAYER AG (DE) 1996-12-27 EP claimed
JP-10045681-A None JP disclosed
EP-4403589-B1 A PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE FROM SOLID MATERIAL W BASF SE (DE) 2026-04-15 EP disclosed
US-5514569-A REDUCING INHIBITION OF A NUCLEOSIDE 5'-MONOPHOSPHATE ON PHOSPHODIESTERASE I BY INCUBATING THE ENZYME IN THE PRESENCE OF A NUCLEOSIDE 5'-MONOPHOSPHATE DEGRADING ENZYME HYMAN EDWARD D (US) 1996-05-07 US disclosed
EP-0448774-B1 Triazinic compounds MINI RICERCA SCIENT TECNOLOG (IT) 1994-10-12 EP disclosed
EP-0448774-A2 Triazinic compounds MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-02 EP 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 (1 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-20020123644-A1 ALIPHATIC TRIISOCYANATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND POLYURETHANE RESIN MADE FROM THE COMPOUND PNMT, ICMT, PCMT1 ALDH1A1 870/4885TDP1 1847/4885NFKB1 2202/4885

“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.