SCHEMBL9851955

SCHEMBL9851955

CC(CO)CC(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TRPA1 O75762 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL18016520 1.00 TSHR (0.45) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL4609548 0.88 TRPA1 (0.47) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL13391793 0.88 TRPA1 (0.47) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL1328939 0.85
SCHEMBL45749 0.85
SCHEMBL25267838 0.84 TSHR (0.46) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL1028057 0.84 TSHR (0.46) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL4608772 0.84 TSHR (0.59) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL28364887 0.84 TSHR (0.40) TSHRTRPA1TDP1ALDH1A1LMNA
SCHEMBL2381959 0.81 TSHR (0.47) TSHRTRPA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249649-B Preparation method of hindered phenol antioxidant 天集化工助剂(沧州)有限公司 2024-05-24 CN disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9188866-B2 Composition for forming titanium-containing resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-11-17 US disclosed
US-9176382-B2 Composition for forming titanium-containing resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-11-03 US disclosed
US-9176382-B2 Composition for forming titanium-containing resist underlayer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-11-03 US disclosed
US-20140273448-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-20140273448-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-20140273447-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-20140273447-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
EP-0459592-A2 Modified epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-12-04 EP disclosed
EP-0281213-A2 Process for the preparation of a modified epoxy resin SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-07 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 TSHR 737/4885TRPA1 45/4885TDP1 4738/4885

“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.