SCHEMBL17056200

SCHEMBL17056200

CCCC1(CCC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(/C(C)=N\OC(C)=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.44
▸ ELANE P08246 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CNR2 P34972 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL17056201 0.92 PDK2 (0.41) PDK2ELANEMAPTPKMCDK5
SCHEMBL17953240 0.91 PDK2 (0.45) PDK2ELANEMAPTPKMCDK5
SCHEMBL17084360 0.90 PDK2 (0.41) PDK2
SCHEMBL17056224 0.90 PDK2 (0.41) PDK2
SCHEMBL17056227 0.87 ALDH1A1 (0.36) PDK2MAPTPKML3MBTL1ALDH1A1
SCHEMBL17877627 0.87 ALDH1A1 (0.36) PDK2MAPTPKML3MBTL1ALDH1A1
SCHEMBL17084350 0.87 ALDH1A1 (0.36) PDK2MAPTPKML3MBTL1ALDH1A1
SCHEMBL29789550 0.87 ALDH1A1 (0.36) PDK2MAPTPKML3MBTL1ALDH1A1
SCHEMBL17084325 0.86 MAPT (0.41) MAPTL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL17084306 0.86 PDK2 (0.44) PDK2ELANECNR2L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 — — US disclosed
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR DAITO CHEMIX CORPORATION (JP) 2015-09-17 — — US disclosed
EP-2913323-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR Daito Chemix Corporation (JP) 2015-09-02 — — EP 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-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR AFF1, AFF2, FTO PDK2 1484/4885ELANE 2105/4885MAPT 2875/4885

“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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