SCHEMBL10339591

SCHEMBL10339591

C#CCOCc1ccc(C=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL3423851 0.84 TSHR (0.42) ALDH1A1TSHRCA12CA2CA9
SCHEMBL5066935 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCA2CA9CHRNB2
SCHEMBL18832287 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL18868385 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCA2CHRNB2CHRNB4
SCHEMBL1140820 0.76 ALDH1A1 (0.48) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL17075233 0.76 ALDH1A1 (0.48) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL26490218 0.76 IDO1 (0.46) ALDH1A1TSHRCA2
SCHEMBL3823942 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCA2CA9CHRNB2
SCHEMBL13301452 0.75 IDO1 (0.48)
SCHEMBL17758157 0.75 CYP3A4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2233633-A None JP disclosed
EP-3590977-B1 SOLVENTLESS POLYMERIZABLE MIXTURE, METHOD FOR THE PREPARATION OF A FUNCTIONALISED POLYMER AND FUNCTIONALISED POLYMER KARLSRUHER INST TECHNOLOGIE (DE) 2020-09-30 EP disclosed
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 US disclosed
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 US disclosed
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 US disclosed
CN-103347909-B In order to prepare precursor compound of being connected on the radiopharmaceutic solid carrier of 18F and preparation method and application 未来化学株式会社 2016-08-10 CN disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 US disclosed
CN-103347909-A Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof INDUSTRY UNIVERSTIY COOPERATION FOUNDATION SOGANG UNIVERSITY 2013-10-09 CN disclosed
JP-H02233633-A 4-ALLENYLOXYMETHYLSTYRENE AND PRODUCTION THEREOF ARAKAWA CHEM IND CO LTD 1990-09-17 JP 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-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF PFAS, RFT1, AFF1 ALDH1A1 1861/4885TSHR 351/4885CA12 802/4885

“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.