SCHEMBL280546

SCHEMBL280546

C=CC(=O)OCC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 3/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.33
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL3678063 0.92
SCHEMBL421446 0.92 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6557409 0.92 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12154290 0.86 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1963100 0.86 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23837211 0.86 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL93519 0.85 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20685518 0.85 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL268391 0.84 LMNA (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28027884 0.84 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10690824-B2 Optical laminate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170219921-A1 PHOTOLITHOGRAPHIC PATTERNING OF DEVICES ORTHOGONAL, INC. 2017-08-03 US disclosed
US-20170222148-A1 PHOTOLITHOGRAPHIC PATTERNING OF DEVICES ORTHOGONAL, INC. 2017-08-03 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-9029434-B2 Colored photosensitive composition ADEKA CORPORATION (JP) 2015-05-12 US disclosed
US-20140332737-A1 COLORED PHOTOSENSITIVE COMPOSITION ADEKA CORPORATION (JP) 2014-11-13 US disclosed
US-20140303274-A1 CATIONIC UV-CROSSLINKABLE ACRYLIC POLYMERS FOR PRESSURE SENSITIVE ADHESIVES HENKEL AG & CO. KGAA (DE) 2014-10-09 US disclosed
US-20130164680-A1 PHOTORESIST COMPOSITION FOR NEGATIVE DEVELOPMENT AND PATTERN FORMING METHOD USING THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-27 US disclosed
US-8338081-B2 Alkali-developable photosensitive resin composition and β-diketone compound ADEKA CORPORATION (JP) 2012-12-25 US disclosed
US-8202679-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-06-19 US disclosed
US-8133656-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20110226511-A1 INKJET INK, SURFACE METAL FILM MATERIAL AND ITS MANUFACTURING METHOD, AND PATTERNED METAL MATERIAL AND ITS MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
US-20100249262-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-09-30 US disclosed
US-20100129753-A1 ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND ADEKA CORPORATION (JP) 2010-05-27 US disclosed
US-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-03-25 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 (3 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-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME CYP4A11, OXER1, NR2E3 TSHR 315/4885ALDH1A1 2514/4885TP53 4254/4885
US-20100249262-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME OXER1, CYP4A11, NR2E3 TSHR 408/4885ALDH1A1 2494/4885TP53 4608/4885
US-20100129753-A1 ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND RPS14, ACAD11, OR10J3 TSHR 3404/4885ALDH1A1 1770/4885TP53 4062/4885

“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.