SCHEMBL8736823

SCHEMBL8736823

C=C(C)C(=O)OCC(N)CC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
LAP3 P28838 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL29050252 0.98 TSHR (0.57) TSHRTHRBALDH1A1ALOX15TDP1
SCHEMBL12860005 0.90 TSHR (0.65) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL20703222 0.85 ALOX15 (0.40) TSHRALDH1A1ALOX15TDP1LAP3
SCHEMBL3419466 0.84 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6266163 0.84 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL29050249 0.83 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL29267203 0.82 TSHR (0.57) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6056619 0.82 TSHR (0.52) TSHRTHRBALDH1A1TDP1
SCHEMBL1401752 0.81 TSHR (0.65) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL5827329 0.81 THRB (0.52) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-9994513-B2 Method for producing novel ali cyclic ester compound, novel alicyclic ester compound, (meth)acrylic copolymer produced by polymerizing said compound, and photosensitive resin composition using said copolymer MITSUBISHI GAS CHEMICAL, INC. (JP) 2018-06-12 US disclosed
US-9994513-B2 Method for producing novel ali cyclic ester compound, novel alicyclic ester compound, (meth)acrylic copolymer produced by polymerizing said compound, and photosensitive resin composition using said copolymer MITSUBISHI GAS CHEMICAL, INC. (JP) 2018-06-12 US disclosed
US-20160355461-A1 METHOD FOR PRODUCING NOVEL ALI CYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-12-08 US disclosed
US-20160355461-A1 METHOD FOR PRODUCING NOVEL ALI CYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-12-08 US disclosed
EP-0611088-B1 Crosslinkable PVC-plastisol NIPPON ZEON CO (JP) 1998-09-02 EP disclosed
EP-0761725-A2 Laminated polyester film DIAFOIL HOECHST CO., LTD (JP) 1997-03-12 EP disclosed
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US disclosed
US-5350550-A Method of production of a plastic laminate NIPPON ZEON CO., LTD. (JP) 1994-09-27 US disclosed
EP-0611088-A1 Crosslinkable PVC-plastisol NIPPON ZEON CO., LTD. (JP) 1994-08-17 EP disclosed
US-4057524-A Epoxy derivative compositions MENYHERT WILLIAM R 1977-11-08 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 (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-20160355461-A1 METHOD FOR PRODUCING NOVEL ALI CYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER ASPH, LTA, TAS2R42 TSHR 3632/4885THRB 2885/4885ALDH1A1 373/4885

“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.