SCHEMBL15501728

SCHEMBL15501728

C=C(C)C(=O)OCC(O)COC1COC2C(OCC(O)COC(=O)C(=C)C)COC12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 3/20 0.44
BCHE P06276 2/20 0.33
THRB P10828 1/20 0.32
TLR2 O60603 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL15501945 1.00 ALDH1A1 (0.46) ALDH1A1TSHRBCHETHRBTLR2
SCHEMBL19472844 0.94 TSHR (0.42) ALDH1A1TSHRBCHE
SCHEMBL16002528 0.94 ALDH1A1 (0.44) ALDH1A1TSHRBCHEKLK7KLK5
SCHEMBL14932349 0.94 ALDH1A1 (0.41) ALDH1A1TSHRBCHETHRBTLR2
SCHEMBL21475876 0.92 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL16002527 0.86 ALDH1A1 (0.40) ALDH1A1TSHRTLR2
SCHEMBL15999631 0.82 ALDH1A1 (0.40) ALDH1A1TSHRBCHE
SCHEMBL24519282 0.81 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL15999632 0.78 TSHR (0.41) ALDH1A1TSHRBCHE
SCHEMBL94906 0.78 TSHR (0.68) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180142052-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers DREXEL UNIVERSITY (US) 2018-05-24 US disclosed
US-9856343-B2 Renewable bio-based (meth)acrylated monomers as vinyl ester cross-linkers DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20170298165-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers DREXEL UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298165-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers DREXEL UNIVERSITY (US) 2017-10-19 US disclosed
US-9644059-B2 Renewable bio-based (meth)acrylated monomers as vinyl ester cross-linkers DREXEL UNIVERSITY (US) 2017-05-09 US disclosed
US-9644059-B2 Renewable bio-based (meth)acrylated monomers as vinyl ester cross-linkers DREXEL UNIVERSITY (US) 2017-05-09 US disclosed
US-20160222149-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers DREXEL UNIVERSITY (US) 2016-08-04 US disclosed
US-20160222149-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers DREXEL UNIVERSITY (US) 2016-08-04 US disclosed
US-9156851-B2 Photocurable dianhydro-hexane-hexol derivative, manufacturing method thereof, and photocurable composition including same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-10-13 US disclosed
US-9156851-B2 Photocurable dianhydro-hexane-hexol derivative, manufacturing method thereof, and photocurable composition including same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-10-13 US disclosed
US-20140249285-A1 RENEWABLE BIO-BASED (METH) ACRYLATED MONOMERS AS VINYL ESTER CROSS-LINKERS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-09-04 US disclosed
US-20140249285-A1 RENEWABLE BIO-BASED (METH) ACRYLATED MONOMERS AS VINYL ESTER CROSS-LINKERS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-09-04 US disclosed
US-20140073716-A1 PHOTOCURABLE DIANHYDRO-HEXANE-HEXOL DERIVATIVE, MANUFACTURING METHOD THEREOF, AND PHOTOCURABLE COMPOSITION INCLUDING SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2014-03-13 US disclosed
US-20140073716-A1 PHOTOCURABLE DIANHYDRO-HEXANE-HEXOL DERIVATIVE, MANUFACTURING METHOD THEREOF, AND PHOTOCURABLE COMPOSITION INCLUDING SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2014-03-13 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 (5 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-20160222149-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers MACF1, ADH7, CD38 ALDH1A1 199/4885TSHR 3768/4885BCHE 349/4885
US-20140073716-A1 PHOTOCURABLE DIANHYDRO-HEXANE-HEXOL DERIVATIVE, MANUFACTURING METHOD THEREOF, AND PHOTOCURABLE COMPOSITION INCLUDING SAME HDHD5, DOHH, HPD ALDH1A1 410/4885TSHR 4815/4885BCHE 460/4885
US-20180142052-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers MACF1, ADH7, CD38 ALDH1A1 199/4885TSHR 3768/4885BCHE 349/4885
US-20170298165-A1 Renewable Bio-Based (Meth)Acrylated Monomers as Vinyl Ester Cross-Linkers MACF1, ADH7, CD38 ALDH1A1 199/4885TSHR 3768/4885BCHE 349/4885
US-20140249285-A1 RENEWABLE BIO-BASED (METH) ACRYLATED MONOMERS AS VINYL ESTER CROSS-LINKERS MACF1, ADH7, CD38 ALDH1A1 199/4885TSHR 3768/4885BCHE 349/4885

“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.