SCHEMBL12286307

SCHEMBL12286307

C=CC(=O)OCCCSC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL12285473 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4774300 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13451138 0.79 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22861291 0.79 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10099800 0.79 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL285398 0.78 THRB (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5005650 0.77 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12286310 0.76 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17372988 0.76 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4887765 0.76 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883378-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed
US-8815478-B2 Colored curable composition, resist liquid, ink for inkjet printing, color filter, method of producing color filter, solid-state image sensor, liquid crystal display, organic EL display, image display device and colorant compound FUJIFILM CORPORATION (JP) 2014-08-26 US disclosed
US-8637215-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-01-28 US disclosed
US-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND FUJIFILM CORPORATION (JP) 2012-10-18 US disclosed
US-20110217636-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-09-08 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-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND CDYL, RET, NLRP1 TSHR 3976/4885ALDH1A1 947/4885CYP3A4 1450/4885

“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.