SCHEMBL276134

SCHEMBL276134

CCC(C)CNCC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL14612167 1.00 TSHR (0.38) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL12574999 0.97 TSHR (0.36) TSHRALDH1A1CYP3A4
Butane SCHEMBL28139255 0.94 TSHR (0.40) TSHRALDH1A1CYP3A4
SCHEMBL7776902 0.91 ANPEP (0.38) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL18760750 0.88 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4
SCHEMBL4915543 0.87 TSHR (0.30) TSHR
SCHEMBL4149586 0.87
SCHEMBL13995757 0.86 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4
SCHEMBL18177692 0.86 KDM4E (0.39) TSHRALDH1A1CYP3A4
SCHEMBL19594655 0.86 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117205-A1 BICYCLIC PYRIDINE DERIVATIVE AND SALT THEREOF, AND HARMFUL ORGANISM CONTROL AGENT CHARACTERIZED BY CONTAINING SAID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 北興化学工業株式会社 2024-06-06 WO disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
US-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-10-19 US disclosed
US-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-10-19 US disclosed
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-10-19 US disclosed
US-11731971-B2 Processes for preparing a diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-08-22 US disclosed
EP-4155291-A1 N,N-DIHYDROCARBYL AMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Changting Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-03-29 EP disclosed
US-11548984-B2 Light- or heat-curing method and curable resin composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2023-01-10 US disclosed
WO-2022266919-A1 N,N-DIHYDROCARBYL AMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF 福建省长汀金龙稀土有限公司 2022-12-29 WO disclosed
US-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2022-11-03 US disclosed
US-4077859-A Polyunsaturated halogenated monomers for use in ultraviolet coating systems CELANESE CORPORATION (US) 1978-03-07 US disclosed
US-4077858-A Completely polymerized ultraviolet cured coatings CELANESE CORPORATION (US) 1978-03-07 US disclosed
US-4060522-A ANTICORROSIVE BASF AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4042476-A TITANIUM DIOXIDE-ACRYLIC POLYMER EMULSION CELANESE CORPORATION (US) 1977-08-16 US disclosed
US-4035321-A Preparation of ultraviolet curable acrylated polymers CELANESE CORPORATION (US) 1977-07-12 US disclosed
US-4016334-A Method of applying high adhesion ultraviolet curable coatings and coated articles CELANESE CORPORATION (US) 1977-04-05 US disclosed
US-4008293-A ACRYLIC COPOLYMER, AMINOPLAST, BINDER PPG INDUSTRIES, INC. (US) 1977-02-15 US disclosed
US-3992276-A Unsaturated polyesters for ultraviolet curable coatings CELANESE CORPORATION (US) 1976-11-16 US disclosed
US-3992275-A Low gloss ultraviolet curable coatings utilizing α,α,α-trichlorotoluene as a photoinitiator CELANESE CORPORATION (US) 1976-11-16 US disclosed
US-3988297-A Process for the preparation of polyphenylene ethers with activated copper-amine catalysts GENERAL ELECTRIC (US) 1976-10-26 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 (4 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-11731971-B2 Processes for preparing a diazabicyclooctane compound FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885CYP3A4 1389/4885
US-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF CCNA1, RCC1, DDT TSHR 3422/4885ALDH1A1 1981/4885CYP3A4 247/4885
US-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, HADH, SLC39A11 TSHR 3336/4885ALDH1A1 1024/4885CYP3A4 3203/4885
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885CYP3A4 1389/4885

“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.