SCHEMBL2349030

SCHEMBL2349030

C=CC(COC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8361963 0.87 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL8677713 0.85 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL28104274 0.82 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL29098264 0.82 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL2168104 0.82 TSHR (0.59) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL4799744 0.82 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL28391183 0.81 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL539233 0.80 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11046041 0.80 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27400837 0.80 TSHR (0.61) TSHRTHRBALDH1A1USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004667-B2 Organic-inorganic composite filler, and method for producing the same TOKUYAMA DENTAL CORPORATION (JP) 2018-06-26 US disclosed
US-20170097580-A1 MEMBER FOR ELECTROPHOTOGRAPHY, DEVELOPING APPARATUS, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-04-06 US disclosed
EP-2358765-B1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI SPA (IT) 2016-02-24 EP disclosed
US-9187584-B2 Imidized polymers containing luminescent groups and method for obtaining them ENI S.P.A. (IT) 2015-11-17 US disclosed
US-20140213687-A1 ORGANIC-INORGANIC COMPOSITE FILLER, AND METHOD FOR PRODUCING THE SAME TOKUYAMA DENTAL CORPORATION (JP) 2014-07-31 US disclosed
US-20110301301-A1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI S.P.A. (IT) 2011-12-08 US disclosed
EP-2358765-A1 IMIDIZED POLYMERS CONTAINING LUMINESCENT GROUPS AND METHOD FOR OBTAINING THEM ENI S.p.A. (IT) 2011-08-24 EP disclosed
WO-2000047214-A9 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INST CANCER (US) 2002-04-11 WO 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-20140213687-A1 ORGANIC-INORGANIC COMPOSITE FILLER, AND METHOD FOR PRODUCING THE SAME CD68, CD44, VCL TSHR 2462/4885THRB 3627/4885ALDH1A1 1939/4885
US-10004667-B2 Organic-inorganic composite filler, and method for producing the same CD68, CD44, VCL TSHR 2462/4885THRB 3627/4885ALDH1A1 1939/4885

“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.