SCHEMBL14335102

SCHEMBL14335102

C#CC(C)(O)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RARB P10826 2/20 0.38
▸ RARG P13631 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACE2 Q9BYF1 4/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ TRPA1 O75762 4/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL18475 1.00 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL8612375 0.83 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL14377497 0.83 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL8610756 0.82 ALDH1A1 (0.38) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL29120373 0.79 — —
SCHEMBL1105235 0.78 MAPT (0.41) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL9495399 0.75 RARB (0.38) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL17706525 0.74 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL14284324 0.73 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL7526780 0.73 RARB (0.41) ALDH1A1GAAMAPTNPSR1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723712-B1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS BV (NL) 2016-11-30 — — EP claimed
US-20140323767-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2014-10-30 — — US claimed
EP-2723712-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP Assets B.V. (NL) 2014-04-30 — — EP claimed
WO-2012175396-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2012-12-27 — — WO claimed
US-20240124380-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES DSM IP ASSETS B.V. (NL) 2024-04-18 — — US disclosed
US-20240116842-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES DSM IP ASSETS B.V. (NL) 2024-04-11 — — US disclosed
EP-4288403-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES DSM IP Assets B.V. (NL) 2023-12-13 — — EP disclosed
EP-4288402-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES DSM IP Assets B.V. (NL) 2023-12-13 — — EP disclosed
EP-3976569-B1 SELECTIVE HYDROGENATION OF ALKYNOLS TO ALKENOLS IN THE PRESENCE OF A PHOSPHORUS COMPOUND DSM IP ASSETS BV (NL) 2023-11-08 — — EP disclosed
CN-114907200-A Preparation of allene ketone using copper sulfate or hydrate thereof 帝斯曼知识产权资产管理有限公司 2022-08-16 — — CN disclosed
CN-114907195-A Using tertiary amines with SO 3 Preparation of unsaturated ketones 帝斯曼知识产权资产管理有限公司 2022-08-16 — — CN disclosed
WO-2022167641-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES DSM IP ASSETS B.V. (NL) 2022-08-11 — — WO disclosed
EP-2797883-A1 CATALYTIC SYNTHESIS OF VITAMIN A INTERMEDIATE Dsm Ip Assets B.V. (NL) 2014-11-05 — — EP disclosed
US-20140323767-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2014-10-30 — — US disclosed
US-20140323767-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2014-10-30 — — US disclosed
US-20140323767-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2014-10-30 — — US disclosed
EP-2723712-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP Assets B.V. (NL) 2014-04-30 — — EP disclosed
WO-2013098095-A1 CATALYTIC SYNTHESIS OF VITAMIN A INTERMEDIATE DSM IP ASSETS B.V. (NL) 2013-07-04 — — WO disclosed
WO-2012175396-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2012-12-27 — — WO disclosed
WO-2012175396-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE DSM IP ASSETS B.V. (NL) 2012-12-27 — — WO 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 (3 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-20140323767-A1 PROCESS FOR THE PRODUCTION OF 1,3,3-TRIMETHYL-2-(3-METHYLPENT-2-EN-4-YNYL)CYCLOHEX-1-ENE CYP8B1, COASY, CYP51A1 ALDH1A1 1817/4885GAA 1917/4885MAPT 2607/4885
US-20240124380-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES TST, STS, KAT5 ALDH1A1 2461/4885GAA 2836/4885MAPT 2023/4885
US-20240116842-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES TST, STS, KAT5 ALDH1A1 2461/4885GAA 2836/4885MAPT 2023/4885

“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.

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