SCHEMBL12701317

SCHEMBL12701317

CSCC1(CSC)c2ccccc2-c2ccc(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.47
▸ ELANE P08246 1/20 0.38
▸ APEX1 P27695 1/20 0.34
▸ KCNQ2 O43526 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL15732926 0.77 PDK2 (0.47) PDK2ELANEAPEX1KCNQ2LMNA
SCHEMBL14391341 0.75 PDK2 (0.50) PDK2ELANEAPEX1ESR1ESR2
Hydrochloric Acid SCHEMBL27969289 0.75 PDK2 (0.46) PDK2ELANEAPEX1KCNQ2KIF11
SCHEMBL23021642 0.73 PDK2 (0.44) PDK2ELANEAPEX1NPSR1TDP1
SCHEMBL9266386 0.73 KCNQ2 (0.60) PDK2ELANEKCNQ2NPSR1MAPK1
SCHEMBL27526654 0.72 APEX1 (0.36) PDK2APEX1KCNQ2LMNAMAPT
SCHEMBL18880905 0.72 PDK2 (0.58) PDK2ELANELMNANPSR1ESR1
SCHEMBL19013527 0.72 PDK2 (0.58) PDK2ELANELMNANPSR1ESR1
SCHEMBL30004202 0.72 PDK2 (0.58) PDK2ELANELMNANPSR1ESR1
SCHEMBL7619444 0.72 PDK2 (0.58) PDK2ELANELMNANPSR1ESR1

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-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-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
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
WO-2009151061-A1 PHOTOREACTIVE COMPOSITION, OPTICAL MATERIAL, COMPOSITION FOR FORMING HOLOGRAPHIC RECORDING LAYER, HOLOGRAPHIC RECORDING MATERIAL, AND HOLOGRAPHIC RECORDING MEDIUM 三菱化学株式会社 (JP) 2009-12-17 — — WO 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 PDK2 4644/4885ELANE 4031/4885APEX1 836/4885

“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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