SCHEMBL1587918

SCHEMBL1587918

Oc1ccc(-c2cc3ccccc3s2)cc1-c1cc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.65
▸ ERN1 O75460 4/20 0.64
▸ HSD17B1 P14061 1/20 0.58
▸ HSD17B2 P37059 1/20 0.58
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ESR1 P03372 9/20 0.51
▸ ESR2 Q92731 9/20 0.51
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC1 Q13547 1/20 0.41
▸ ACLY P53396 1/20 0.41

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
SCHEMBL31026679 0.82 APP (0.58) APPERN1HSD17B1HSD17B2CA1
SCHEMBL7503046 0.82 APP (0.58) APPERN1HSD17B1HSD17B2CA1
SCHEMBL32677328 0.80 APP (0.81) APPERN1HSD17B1HSD17B2CA1
SCHEMBL27159530 0.80 APP (0.81) APPERN1HSD17B1HSD17B2CA1
SCHEMBL6172601 0.79 APP (1.00) APPERN1HSD17B1HSD17B2CA1
SCHEMBL12767811 0.78 ERN1 (1.00) APPERN1HSD17B1HSD17B2CA1
SCHEMBL28813263 0.78 APP (0.67) APPERN1HSD17B1HSD17B2CA1
SCHEMBL5384482 0.77 APP (0.65) APPERN1HSD17B1HSD17B2CA1
SCHEMBL5429670 0.77 APP (0.75) APPERN1HSD17B1HSD17B2CA1
SCHEMBL27631114 0.76 HSD17B1 (0.77) APPERN1HSD17B1HSD17B2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758960-B2 Photoreactive composition, optical material, composition for forming holographic recording layer, holographic recording material, and holographic recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2014-06-24 — — US disclosed
US-20110092612-A1 PHOTOREACTIVE COMPOSITION, OPTICAL MATERIAL, COMPOSITION FOR FORMING HOLOGRAPHIC RECORDING LAYER, HOLOGRAPHIC RECORDING MATERIAL, AND HOLOGRAPHIC RECORDING MEDIUM MITSUBISHI CHEMICAL CORPORATION (JP) 2011-04-21 — — 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-20110092612-A1 PHOTOREACTIVE COMPOSITION, OPTICAL MATERIAL, COMPOSITION FOR FORMING HOLOGRAPHIC RECORDING LAYER, HOLOGRAPHIC RECORDING MATERIAL, AND HOLOGRAPHIC RECORDING MEDIUM MKI67, RRS1, NAP1L1 APP 839/4885ERN1 2243/4885HSD17B1 1662/4885

“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.

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