SCHEMBL9304975

SCHEMBL9304975

CCCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.46
SPHK1 Q9NYA1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GBA1 P04062 1/20 0.39
GGPS1 O95749 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11221799 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL381403 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2238752 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2238442 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2239219 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL23888724 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2237184 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL474241 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL7754974 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL3540013 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 EP claimed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 US claimed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 EP claimed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 WO claimed
WO-2024044481-A1 POLYOLEFIN ELASTOMER VITRIMER PREPARED WITH MULTI-FUNCTIONAL BORON-ESTER CROSSLINKERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-02-29 WO disclosed
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 EP disclosed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 US disclosed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 EP disclosed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 WO disclosed
US-5359139-A Tertiary amine treatment ALBEMARLE CORPORATION (US) 1994-10-25 US disclosed
EP-0504628-A2 Process for treating tertiary amines ETHYL CORPORATION (US) 1992-09-23 EP disclosed
US-5136092-A Process for treating tertiary amines ETHYL CORPORATION (US) 1992-08-04 US disclosed
US-5118852-A Tert-amine treatment ETHYL CORPORATION (US) 1992-06-02 US disclosed
US-5113017-A Process for treating tertiary amines ETHYL CORPORATION (US) 1992-05-12 US disclosed
US-5107028-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-21 US disclosed
US-5103052-A Tertiary amine treatment ETHYL CORPORATION (US) 1992-04-07 US disclosed
US-5103053-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-07 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-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL HAO2, GPX4, SQOR DNM1 2773/4885SPHK1 2256/4885CA12 2199/4885

“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.