SCHEMBL316695

SCHEMBL316695

C=Cc1ccc(COCCCOCc2ccc(C=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TEAD3 Q99594 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32

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
SCHEMBL316600 0.96 ALDH1A1 (0.46) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL18868387 0.94 ALDH1A1 (0.44) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL18832287 0.91 ALDH1A1 (0.50) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL10071501 0.91 TDP1 (0.39) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL20459831 0.91 ALDH1A1 (0.38) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL1140820 0.89 ALDH1A1 (0.48) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL17075233 0.89 ALDH1A1 (0.48) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL1316435 0.89 CHRNB2 (0.42) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL27090345 0.89 ALDH1A1 (0.39) ALDH1A1TEAD3TDP1L3MBTL1CHRNB2
SCHEMBL1664388 0.87 CA1 (0.40) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US claimed
US-20180002459-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-01-04 — — US disclosed
US-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 — — US disclosed
US-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE ASYMCHEM LABORATORIES (FUXIN) CO., LTD. (CN) 2017-05-18 — — US disclosed
US-20160272888-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND ANISOTROPIC OPTICAL BODY, RETARDATION FILM, ANTIREFLECTIVE FILM, AND LIQUID CRYSTAL, DISPLAY ELEMENT FABRICATED USING COMPOSITION DIC Corporation (Tokyo) (JP) 2016-09-22 — — US disclosed
US-8779065-B2 Fluorine-containing curable resin, active energy beam-curable composition, and cured product thereof DIC CORPORATION (JP) 2014-07-15 — — US disclosed
EP-2045014-B1 POLYMER-SUPPORTED METAL COMPLEX CATALYST UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-01-15 — — EP disclosed
US-20130172476-A1 FLUORINE-BASED SURFACTANT, AND COATING COMPOSITION AND RESIST COMPOSITION EACH USING THE SAME DIC CORPORATION (JP) 2013-07-04 — — US disclosed
US-20130012647-A1 CURABLE FLUORINE-CONTAINING RESIN AND ACTIVE-ENERGY-RAY-CURABLE COMPOSITION INCLUDING THE SAME DIC CORPORATION (JP) 2013-01-10 — — US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 — — US disclosed
EP-2045014-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST National University Corporation Hokkaido University (JP) 2009-04-08 — — EP disclosed
EP-2045014-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST National University Corporation Hokkaido University (JP) 2009-04-08 — — EP 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-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE PGM2, MGAM, MRPL21 ALDH1A1 3195/4885TEAD3 3338/4885TDP1 4642/4885
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST PYM1, ARG1, SCO2 ALDH1A1 2736/4885TEAD3 4669/4885TDP1 4228/4885

“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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