SCHEMBL17056225

SCHEMBL17056225

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 8/20 0.36
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ AHR P35869 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
SCHEMBL17084320 0.90 HTT (0.39) KMT2AALDH1A1LMNATDP1MAPT
SCHEMBL17056217 0.89 NPC1 (0.44) KMT2AALDH1A1LMNATDP1MAPT
SCHEMBL18218064 0.89 NPC1 (0.44) KMT2AALDH1A1LMNATDP1MAPT
SCHEMBL22985750 0.88 ALDH1A1 (0.41) KMT2AALDH1A1LMNATDP1MAPT
SCHEMBL18122989 0.87 MAPT (0.36) KMT2AALDH1A1TDP1MAPTMEN1
SCHEMBL17084321 0.87 MAPT (0.36) KMT2AALDH1A1TDP1MAPTMEN1
SCHEMBL17084338 0.84 NPC1 (0.47) KMT2AALDH1A1LMNATDP1MAPT
SCHEMBL18012819 0.84 CYP2C19 (0.36) KMT2AALDH1A1MAPTMEN1CYP2C19
SCHEMBL18012755 0.83 KMT2A (0.39) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL18848196 0.82 MAPT (0.35) KMT2AALDH1A1TDP1MAPTMEN1

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 KMT2A 314/4885ALDH1A1 290/4885LMNA 3161/4885

“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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