SCHEMBL21175601

SCHEMBL21175601

CCCCCCCCCC(CCCC)OC(CCCC)CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.42
CA2 P00918 1/20 0.41
SMPD1 P17405 3/20 0.40
FDPS P14324 3/20 0.39
GPR84 Q9NQS5 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL28673097 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL1931301 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL8840359 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL3793387 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL6754668 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL1932169 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL1400123 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL8006167 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL1933190 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1
SCHEMBL1931215 1.00 DNM1 (0.50) DNM1TSHRTHRBLMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099986-B Multi-component diesel fuel composition 耐思特公司 2021-07-09 CN claimed
CN-110088249-B Multi-component diesel fuel composition 耐思特公司 2021-06-25 CN claimed
EP-3555241-B1 A MULTICOMPONENT DIESEL COMPOSITION NESTE OYJ (FI) 2020-11-11 EP claimed
EP-3555240-B1 A MULTICOMPONENT DIESEL COMPOSITION NESTE OYJ (FI) 2020-10-14 EP claimed
CN-110099986-A Multicomponent Dresel fuel compositions 奈斯特化学公司 2019-08-06 CN claimed
CN-110088249-A Multicomponent Dresel fuel compositions 奈斯特化学公司 2019-08-02 CN claimed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
CN-116272256-A Method and device for collecting tobacco fragrance in redried tobacco tail gas 云南烟叶复烤有限责任公司 2023-06-23 CN disclosed
CN-112979917-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2023-04-25 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-110099986-B Multi-component diesel fuel composition 耐思特公司 2021-07-09 CN disclosed
CN-110088249-B Multi-component diesel fuel composition 耐思特公司 2021-06-25 CN disclosed
CN-112495141-A Method and system for collecting tobacco fragrance in flue-cured tobacco leaf tail gas 云南烟叶复烤有限责任公司 2021-03-16 CN disclosed
EP-3527600-A1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-21 EP disclosed
CN-110099986-A Multicomponent Dresel fuel compositions 奈斯特化学公司 2019-08-06 CN disclosed
CN-110088249-A Multicomponent Dresel fuel compositions 奈斯特化学公司 2019-08-02 CN disclosed
US-20190225739-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-25 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B DNM1 4036/4885TSHR 4885/4885THRB 4881/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B DNM1 3924/4885TSHR 4885/4885THRB 4879/4885

“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.