SCHEMBL5870036

SCHEMBL5870036

CCCCCCCCCCCCC(C)(N)CCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.48
FDPS P14324 2/20 0.48
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
DNM1 Q05193 8/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.43
GGPS1 O95749 1/20 0.41

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
SCHEMBL8958161 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL11042226 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL3650845 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL9846062 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL19820393 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL20047630 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8536232 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL10608827 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL14840109 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL14840451 1.00 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613724-B1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL SHINETSU CHEMICAL CO (JP) 2023-06-07 EP claimed
EP-3613732-B1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL SHINETSU CHEMICAL CO (JP) 2022-04-13 EP claimed
EP-3613724-A1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL Shin-Etsu Chemical Co., Ltd. (JP) 2020-02-26 EP claimed
EP-3613732-A1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL Shin-Etsu Chemical Co., Ltd. (JP) 2020-02-26 EP claimed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US claimed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US claimed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US claimed
EP-3613724-B1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL SHINETSU CHEMICAL CO (JP) 2023-06-07 EP disclosed
CN-110857265-B Process for preparing (E2) -cis-6, 7-epoxy-2-nonenal 信越化学工业株式会社 2023-05-16 CN disclosed
CN-110857264-B Process for preparing (E2, Z6) -2, 6-nonadienal 信越化学工业株式会社 2023-05-12 CN disclosed
EP-3613732-B1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL SHINETSU CHEMICAL CO (JP) 2022-04-13 EP disclosed
US-10781194-B2 Process for preparing (E2)-cis-6,7-epoxy-2-nonenal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-09-22 US disclosed
US-10730817-B2 Process for preparing (E2,Z6)-2,6-nonadienal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-04 US disclosed
US-5055233-A Facial soap ETHYL CORPORATION (US) 1991-10-08 US disclosed
EP-0424965-A1 Amine oxide process ETHYL CORPORATION (US) 1991-05-02 EP disclosed
EP-0421326-A1 Transparent toilet soap ALBEMARLE CORPORATION (US) 1991-04-10 EP disclosed
EP-0421328-A1 Toilet soap ALBEMARLE CORPORATION (US) 1991-04-10 EP disclosed
EP-0401503-A2 Solid non-hygroscopic trialkylamine oxides ALBEMARLE CORPORATION (US) 1990-12-12 EP disclosed
US-4960934-A Amine oxide process ETHYL CORPORATION (US) 1990-10-02 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 (2 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-10730817-B2 Process for preparing (E2,Z6)-2,6-nonadienal NFE2L2, TXNRD2, CCNE2 SMPD1 3952/4885FDPS 1823/4885TSHR 747/4885
US-10781194-B2 Process for preparing (E2)-cis-6,7-epoxy-2-nonenal NFE2L2, CYP2A6, CYP2J2 SMPD1 3732/4885FDPS 603/4885TSHR 2742/4885

“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.