SCHEMBL17084307

SCHEMBL17084307

CCCC1(CCC)c2cc(/C(=N\C)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ESPL1 Q14674 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 4/20 0.35

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
SCHEMBL17084311 0.92 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL18812939 0.92 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084347 0.92 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17056217 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL18218064 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084348 0.87 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084338 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084345 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084342 0.83 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL17084344 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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 NPC1 3715/4885RAB9A 2860/4885SMN1; SMN2 3169/4885

“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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