SCHEMBL18812925

SCHEMBL18812925

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)/C(CCC(=O)OC)=N\O)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ ESRRB O95718 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ITGA4 P13612 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
SCHEMBL18838969 1.00 PDK2 (0.38) PDK2APEX1ESRRBPTPRCALDH1A1
SCHEMBL18812926 1.00 PDK2 (0.38) PDK2APEX1ESRRBPTPRCALDH1A1
SCHEMBL18123030 0.88 PDK2 (0.35) PDK2APEX1ESRRBPTPRCALDH1A1
SCHEMBL28529766 0.85 APEX1 (0.39) PDK2APEX1
SCHEMBL28525737 0.85 APEX1 (0.39) PDK2APEX1
SCHEMBL18812933 0.81 APEX1 (0.41) PDK2APEX1PTPRC
SCHEMBL18123028 0.79 PDK2 (0.38) PDK2APEX1ALDH1A1
SCHEMBL25198042 0.79 PGR (0.37) PDK2APEX1ALDH1A1MAPT
SCHEMBL28908811 0.78 PDK2 (0.38) PDK2APEX1
SCHEMBL18838968 0.78 APEX1 (0.43) PDK2APEX1

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
EP-3165965-B1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO LTD (JP) 2018-10-10 — — EP disclosed
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-08 — — US disclosed
EP-3165965-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-05-10 — — 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-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND C1R, CRY1, C1S PDK2 2998/4885APEX1 871/4885ESRRB 4637/4885

“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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