SCHEMBL1324545

SCHEMBL1324545

PCCCC(C1CCCC1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 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
SCHEMBL1324498 0.98 EPHX1 (0.46) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1324615 0.93 EPHX1 (0.41) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1324554 0.91 EPHX1 (0.39) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL17529723 0.91 EPHX1 (0.44) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1323180 0.91 EPHX1 (0.39) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1337268 0.89 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL11730380 0.89 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1323141 0.89 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL17529700 0.89 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1323171 0.84 EPHX1 (0.46) EPHX1CYP2D6TP53MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023060377-A1 C15 PHOSPHONIUM SALT ISOMER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 万华化学集团股份有限公司 2023-04-20 WO claimed
WO-2022241670-A1 PREPARATION METHOD FOR C15 PHOSPHINE SALT 万华化学集团股份有限公司 2022-11-24 WO claimed
CN-112574388-B Preparation method of polyisocyanate containing uretdione group 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-113735902-A C15 phosphine salt isomer and preparation method and application thereof 万华化学集团股份有限公司 2021-12-03 CN claimed
CN-111040101-B Polyisocyanate having stable color number and containing uretdione group and preparation method thereof 万华化学集团股份有限公司 2021-09-07 CN claimed
CN-113201016-A Preparation method of C15 phosphonium salt 万华化学集团股份有限公司 2021-08-03 CN claimed
CN-110372846-B Preparation method of polyisocyanate with stable color value and containing uretdione group 万华化学集团股份有限公司 2021-06-25 CN claimed
CN-110305294-B Preparation method of storage-stable polyisocyanate containing uretdione group 万华化学集团股份有限公司 2021-04-20 CN claimed
CN-112574388-A Preparation method of polyisocyanate containing uretdione group 万华化学集团股份有限公司 2021-03-30 CN claimed
EP-2389403-B1 CASTINGS BASED ON POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2018-04-04 EP claimed
EP-2389403-A1 POLYURETHANE SEALING COMPOUNDS Bayer MaterialScience AG (DE) 2011-11-30 EP claimed
US-20110281966-A1 POLYURETHANE SEALING COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2011-11-17 US claimed
US-20110257454-A1 Use of an Additive in the Coupling of Toluene with a Carbon Source FINA TECHNOLOGY, INC. (US) 2011-10-20 US claimed
WO-2010083957-A1 POLYURETHANE SEALING COMPOUNDS BAYER MATERIALSCIENCE AG (DE) 2010-07-29 WO claimed
US-12492281-B2 Polyisocyanurate materials as electrical potting compounds COVESTRO DEUTSCHLAND AG (DE) 2025-12-09 US disclosed
CN-113201016-B Preparation method of C15 phosphine salt 万华化学集团股份有限公司 2023-09-19 CN disclosed
US-20230272151-A1 STORAGE-STABLE POLYISOCYANATE COMPOSITION AND PREPARATION METHOD THEREFOR WANHUA CHEMICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-6444778-B1 DIISOCYANATES DIMERIZED USING TERTIARY PHOSPHINE CATALYST AND UREA OR AMIDE STABILIZERS; HIGH TEMPERATURE STORAGE STABLE CROSSLINKER FOR TWO-COMPONENT POLYURETHANE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-20020028930-A1 Process for the production of uretdione polyisocyanates with improved monomer stability BAYER AKTEINGESELLSCHAFT (DE) 2002-03-07 US disclosed
EP-1174428-A2 Process for the preparation of uretdione polyisocyanates with improved monomer stability Bayer Aktiengesellschaft (DE) 2002-01-23 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-20020028930-A1 Process for the production of uretdione polyisocyanates with improved monomer stability UROD, PUF60, UFM1 EPHX1 2420/4885CYP2D6 2144/4885TP53 4405/4885

“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.