SCHEMBL17084318

SCHEMBL17084318

CCCCCCC1(CCCCCC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(/C(C)=N\C)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ LTB4R Q15722 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 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
SCHEMBL17084306 0.91 PDK2 (0.44) PDK2CNR2ALDH1A1ATMTDP1
SCHEMBL17056201 0.87 PDK2 (0.41) PDK2CNR2ALDH1A1CES2CES1
SCHEMBL17084309 0.87 ALDH1A1 (0.36) PDK2CNR2ALDH1A1
SCHEMBL16477992 0.84 CNR2 (0.43) PDK2CNR2ALDH1A1CES2CES1
SCHEMBL15159198 0.79 PDK2 (0.42) PDK2CNR2MMP2MMP9MMP8
SCHEMBL16477965 0.78 CNR2 (0.39) PDK2CNR2ALDH1A1CES2CES1
SCHEMBL27837668 0.78 MAPT (0.44) PDK2ALDH1A1HPGD
SCHEMBL6258494 0.78 RARB (0.49) —
SCHEMBL27740986 0.78 RARB (0.49) —
SCHEMBL17056200 0.78 PDK2 (0.44) PDK2CNR2ALDH1A1ATMTDP1

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-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

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 1484/4885CNR2 766/4885ALDH1A1 290/4885

“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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