SCHEMBL455319

SCHEMBL455319

C=CCCCCCCC[C]=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.44
ABCC4 O15439 1/20 0.44
TRPA1 O75762 3/20 0.41
USP2 O75604 5/20 0.41
ALDH1A1 P00352 6/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LMNA P02545 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL455182 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1USP2
SCHEMBL2164419 1.00
SCHEMBL2163541 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1USP2
SCHEMBL23111307 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1USP2
SCHEMBL2162669 0.97
SCHEMBL193970 0.89
SCHEMBL10770695 0.89 TSHR (0.38) TSHRMAPTABCC4TRPA1USP2
SCHEMBL10770693 0.89 TSHR (0.38) TSHRMAPTABCC4TRPA1USP2
SCHEMBL7292900 0.84 USP2 (0.43) TSHRMAPTABCC4TRPA1USP2
SCHEMBL21061587 0.80 EP300 (0.37) TSHRMAPTALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111093374-B STABILIZED PROSTABILIZER-CONTAINING FORMULATIONS WITH LOW 2- (1-CHLOROCYCLOPROPYL) -1- (2-CHLOROPHENYL) -3- (1H-1,2, 4-TRIAZOL-1-YL) PROPAN-2-OL CONTENT 拜耳股份公司 2022-06-10 CN claimed
CN-111093374-A Stabilized formulation containing prothioconazole with low content of desulfurates 拜耳股份公司 2020-05-01 CN claimed
EP-3638034-A1 STABILISED FORMULATIONS CONTAINING PROTHIOCONAZOLE WITH A LOW 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL CONTENT Bayer Aktiengesellschaft (DE) 2020-04-22 EP claimed
US-20200093131-A1 STABILISED FORMULATIONS CONTAINING PROTHIOCONAZOLE WITH A LOW 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL CONTENT BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
EP-3157948-A1 LONG-ACTING STABLE PEPTIDE GHRELIN ANALOGS FOR THE TREATMENT OF CACHEXIA Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2017-04-26 EP claimed
US-20170044230-A1 LONG-ACTING STABLE PEPTIDE GHRELIN ANALOGS FOR THE TREATMENT OF CACHEXIA USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-02-16 US claimed
WO-2015197037-A1 LONG-ACTING STABLE PEPTIDE GHRELIN ANALOGS FOR THE TREATMENT OF CACHEXIA USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2015-12-30 WO claimed
EP-0442558-A1 Fatty acid-specific lipase UNILEVER N.V. (NL) 1991-08-21 EP claimed
WO-2023203845-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-10-26 WO disclosed
WO-2023203837-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-10-26 WO disclosed
CN-111093374-B STABILIZED PROSTABILIZER-CONTAINING FORMULATIONS WITH LOW 2- (1-CHLOROCYCLOPROPYL) -1- (2-CHLOROPHENYL) -3- (1H-1,2, 4-TRIAZOL-1-YL) PROPAN-2-OL CONTENT 拜耳股份公司 2022-06-10 CN disclosed
EP-3694324-A1 ACTIVE INGREDIENT COMPOSITIONS COMPRISING N-ALKENOYL-N-ALKYLGLUCAMIDES AND THE USE THEREOF Clariant International Ltd (CH) 2020-08-19 EP disclosed
CN-111200933-A Active ingredient compositions comprising N-enoyl-N-alkylglucamides and their use 科莱恩国际有限公司 2020-05-26 CN disclosed
CN-111093374-A Stabilized formulation containing prothioconazole with low content of desulfurates 拜耳股份公司 2020-05-01 CN disclosed
US-4729989-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1988-03-08 US disclosed
US-4692441-A B-LACTAM ANTIBIOTICS MERCK & CO., INC. (US) 1987-09-08 US disclosed
EP-0214898-A2 Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO. INC. (US) 1987-03-18 EP disclosed
EP-0206947-A2 Pharmaceutical composition containing choline ester salts for enhancing gastrointestinal tract absorption MERCK & CO. INC. (US) 1986-12-30 EP disclosed
EP-0162764-A1 Composition and method for enhancing absorption of drugs from gastrointestinal tract using acylcarnitines MERCK & CO. INC. (US) 1985-11-27 EP disclosed
US-4537772-A Enhancing absorption of drugs from gastrointestinal tract using acylcarnitines MERCK & CO., INC. (US) 1985-08-27 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-20200093131-A1 STABILISED FORMULATIONS CONTAINING PROTHIOCONAZOLE WITH A LOW 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL CONTENT CTRL, PIR, THOC2 TSHR 3385/4885MAPT 1928/4885ABCC4 1688/4885

“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.