SCHEMBL5270891

SCHEMBL5270891

C#CC(C)(O)/C=C/C1=C(C)CCCC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 9/20 0.46
PTGS1 P23219 4/20 0.46
LMNA P02545 2/20 0.46
DRD3 P35462 2/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
CYP3A4 P08684 5/20 0.42
APP P05067 4/20 0.42
SNCA P37840 4/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
RXRA P19793 6/20 0.41
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41

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
SCHEMBL5270896 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL22715502 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11780848 0.84 ALDH1A1 (0.65) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11780842 0.84 ALDH1A1 (0.65) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11857992 0.83 CYP1A2 (0.48) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11857996 0.83 CYP1A2 (0.48) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL7898751 0.83 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL7898750 0.83 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL22125377 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL22125376 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1PTGS1LMNADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110860284-B Supported catalyst and preparation method and application thereof 浙江大学 2021-04-02 CN claimed
CN-110860284-A Supported catalyst and preparation method and application thereof 浙江大学 2020-03-06 CN claimed
US-20200070132-A1 PdIn Alloy Catalyst, Method for Manufacturing PdIn Alloy Catalyst and Application Thereof ZHEJIANG NHU COMPANY LTD. (CN) 2020-03-05 US claimed
US-12516020-B2 Process to produce specific alpha,beta-unsaturated carboxylates DSM IP ASSETS B.V. (NL) 2026-01-06 US disclosed
EP-4168420-B1 IMPROVED PROCESS TO PRODUCE SPECIFIC ALFA, BETA-UNSATURATED CARBOXYLATES DSM IP ASSETS BV (NL) 2024-11-13 EP disclosed
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
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
US-20230271920-A1 IMPROVED PROCESS TO PRODUCE SPECIFIC ALPHA,BETA-UNSATURATED CARBOXYLATES DSM IP ASSETS B.V. (NL) 2023-08-31 US disclosed
EP-4168420-A1 IMPROVED PROCESS TO PRODUCE SPECIFIC ?,?-UNSATURATED CARBOXYLATES DSM IP Assets B.V. (NL) 2023-04-26 EP 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
US-4092366-A ETHYNYLATION, ETHERIFICATION, HYDROGENATION, BETA-IONONE SCM CORPORATION (US) 1978-05-30 US disclosed
US-4082791-A INTERMEDIATES FOR VITAMIN A SCM CORPORATION (US) 1978-04-04 US disclosed
US-4066685-A A-ETHOXY-9,12-DIHYDRORETINYL DERIVATIVES SCM CORPORATION (US) 1978-01-03 US disclosed
US-4064162-A COPPER DERIVATIVE OF ETHYNYL-TERMINATED, ALKOXY-SUBSTITUTED, BETA-IONOL COUPLED TO A HALOISOPENTEN-OL OR ESTER SCM CORPORATION (US) 1977-12-20 US disclosed
US-4064183-A COPPER DERIVATIVE OF ETHYNYL-TERMINATED, ALKOXY-SUBSTITUTED, BETA-IONOL COUPLED TO A HALO-ISOPENTEN-OL OR ESTER SCM CORPORATION (US) 1977-12-20 US disclosed
US-4058569-A PHOTOTROPISM, REARRANGEMENT SCM CORPORATION (US) 1977-11-15 US disclosed
US-3994936-A Catalytic rearrangement HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3949006-A Synthesis of vitamin A, intermediates and conversion thereof to vitamin A SCM CORPORATION (US) 1976-04-06 US disclosed
US-3947498-A Vitamin A intermediates SCM CORPORATION (US) 1976-03-30 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-20240124380-A1 MANUFACTURING OF ALLENE KETONES USING AN AMMONIUM (THIO)SULFATES OR HYDROGEN (THIO)SULFATES TST, STS, KAT5 CYP1A2 2286/4885ALDH1A1 2461/4885PTGS1 913/4885
US-20230271920-A1 IMPROVED PROCESS TO PRODUCE SPECIFIC ALPHA,BETA-UNSATURATED CARBOXYLATES COASY, FADS1, FASN CYP1A2 581/4885ALDH1A1 278/4885PTGS1 437/4885

“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.