SCHEMBL11095447

SCHEMBL11095447

CCCCCCCCCCCCCCCCCCCCCC#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 4/20 0.41
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 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
Palmitonitrile SCHEMBL17183997 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL2154283 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181303 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL6002112 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181158 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL60342 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL3240570 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL345850 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL20497305 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL61880 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482503-A REACTING CARBOXYLIC ACID OR ITS ALKYL ESTER WITH AMMONIA IN THE PRESENCE OF IRON OR IRON COMPOUND CATALYSTS CHEMISCHE WERKE HUELS AG (DE) 1984-11-13 US claimed
EP-4396306-B1 A METHOD FOR DECREASING FEED IMPURITIES NESTE OYJ (FI) 2025-07-30 EP disclosed
US-20240350942-A1 A METHOD FOR DECREASING FEED IMPURITIES NESTE OYJ (FI) 2024-10-24 US disclosed
EP-4396306-A1 A METHOD FOR DECREASING FEED IMPURITIES Neste Oyj (FI) 2024-07-10 EP disclosed
WO-2023031511-A1 A METHOD FOR DECREASING FEED IMPURITIES NESTE OYJ (FI) 2023-03-09 WO disclosed
CN-111948301-B Qualitative and quantitative analysis method for organic additives in full-biodegradable mulching film 贵州省烟草科学研究院 2022-11-29 CN disclosed
CN-111948301-A Qualitative and quantitative analysis method for organic additives in full-biodegradable mulching film 贵州省烟草科学研究院 2020-11-17 CN disclosed
US-7629108-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20080102405-A1 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-05-01 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-20080102405-A1 Nitrogen-containing organic compound, resist composition and patterning process MDM4, MUS81, NOP2 TSHR 4239/4885THRB 4756/4885ALDH1A1 4502/4885

“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.