SCHEMBL17084331

SCHEMBL17084331

CCCC1(CCC)c2cc(/C(CCCCl)=N/OC(C)=O)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 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
SCHEMBL17084372 0.87 MEN1 (0.34) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL17084337 0.86 ALDH1A1 (0.42) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL17084341 0.85 MAPT (0.33) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL18122989 0.85 MAPT (0.36) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL17084321 0.85 MAPT (0.36) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL25911822 0.84 MAPT (0.47) MAPTPOLBTDP1ALDH1A1KMT2A
SCHEMBL17084373 0.83 ALDH1A1 (0.36) MAPTPOLBTDP1ALDH1A1KDM4E
SCHEMBL18012700 0.83 HDAC3 (0.35) MAPTPOLBHTTTDP1ALDH1A1
SCHEMBL18012755 0.81 KMT2A (0.39) MAPTPOLBHTTALDH1A1NPSR1
SCHEMBL16556665 0.81 ESPL1 (0.38) MAPTPOLBHTTTDP1ALDH1A1

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 4 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-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
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 MAPT 2875/4885POLB 1267/4885HTT 1962/4885

“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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