SCHEMBL4880783

SCHEMBL4880783

O=C(S)OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C19 P33261 1/20 0.44
NAAA Q02083 2/20 0.42
HTT P42858 1/20 0.41
CYP19A1 P11511 4/20 0.39
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL8847517 0.97
SCHEMBL3069592 0.81 EPHX1 (0.44) EPHX1CA12CA1CA2CA9
SCHEMBL24268570 0.80 EPHX1 (0.47) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL984315 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8991654 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL2999385 0.78 EPHX1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL37472 0.78 EPHX1 (0.60) EPHX1CA12CA1CA2CA9

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-20080036373-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2008-02-14 US disclosed
US-20060202197-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2006-09-14 US disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-6413677-B1 THIOCARBONATE ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2002-07-02 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR EPHX1 2778/4885CA12 665/4885CA1 74/4885
US-20080036373-A1 Platinum complex and light-emitting device XPA, ERCC4, UACA EPHX1 4189/4885CA12 949/4885CA1 283/4885
US-20060202197-A1 Platinum complex and light-emitting device RAD1, RAD51, UACA EPHX1 3998/4885CA12 653/4885CA1 142/4885

“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.