SCHEMBL197951

SCHEMBL197951

CCCCC(CC)CNCCN

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
CYP3A4 P08684 4/20 0.72
TSHR P16473 4/20 0.72
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.46
CA2 P00918 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 3/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 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
Hydrochloric Acid SCHEMBL28431270 0.98 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRTDP1KDM4E
Ethylenediamine SCHEMBL5032271 0.98 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4914031 0.96 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4917085 0.96 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4908682 0.96 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL197248 0.92 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL29057251 0.91 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL20145257 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1KDM4E
Propylamine SCHEMBL19834934 0.89 TSHR (0.83) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4909383 0.89 TSHR (0.82) ALDH1A1CYP3A4TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115734999-A Engine oil lubricant composition with steel corrosion protection and preparation method thereof 埃克森美孚技术与工程公司 2023-03-03 CN claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
US-8524807-B2 Water soluble amine and uses thereof SIKA TECHNOLOGY AG (CH) 2013-09-03 US claimed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN claimed
US-20110166259-A1 WATER SOLUBLE AMINE AND USES THEREOF SIKA TECHNOLOGY AG (CH) 2011-07-07 US claimed
EP-2288640-A1 WATER-SOLUBLE AMINE AND USES THEREOF Sika Technology AG (CH) 2011-03-02 EP claimed
WO-2009150212-A1 WATER-SOLUBLE AMINE AND USES THEREOF SIKA TECHNOLOGY AG (CH) 2009-12-17 WO claimed
EP-2133381-A1 Water soluble amine and its application Sika Technology AG (CH) 2009-12-16 EP claimed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-4721970-A1 BONDED STRUCTURE COMPRISING AN ELECTROCHEMICALLY DEBONDABLE ADHESIVE LAYER Henkel AG & Co. KGaA (DE) 2026-04-08 EP disclosed
EP-4721971-A1 METHOD OF SEPARATING BONDED ARTICLES Henkel AG & Co. KGaA (DE) 2026-04-08 EP disclosed
EP-4717746-A1 ONE COMPONENT (1K) COMPOSITION BASED ON EPOXIDE COMPOUNDS Henkel AG & Co. KGaA (DE) 2026-04-01 EP disclosed
US-12590207-B2 Epoxy composition comprising a bio-based epoxy compound HENKEL AG & CO. KGAA (DE) 2026-03-31 US disclosed
US-5270471-A Process for making alkylated polyalkylenepolyamines by selective alkylation THE B. F. GOODRICH COMPANY (US) 1993-12-14 US disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
US-4310359-A Pigment compositions TOYO INK MANUFACTURING CO., LTD. (JP) 1982-01-12 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed
US-4069064-A Phthalocyanine formulations having high gloss, which are stabilized against recrystallization and against change of modification BASF AKTIENGESELLSCHAFT (DT) 1978-01-17 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 (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-12590207-B2 Epoxy composition comprising a bio-based epoxy compound ITGA6, O60361, ITGB6 ALDH1A1 650/4885CYP3A4 1176/4885TSHR 3207/4885

“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.