SCHEMBL17084348

SCHEMBL17084348

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 7/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 5/20 0.41
▸ POLB P06746 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ TDP2 O95551 1/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17084307 0.87 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL17084347 0.87 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL18812939 0.87 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL29620217 0.85 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL17084351 0.85 ALDH1A1 (0.42) ALDH1A1HTT
SCHEMBL17084352 0.84 PDK2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL30266914 0.84 PDK2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL18218064 0.84 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL17056217 0.84 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL30610049 0.83 MAPT (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106537254-B Photosensitive composition and compound 东京应化工业株式会社 2021-01-08 — — CN disclosed
CN-105838149-B Colorant dispersion liquid, photosensitive resin composition containing the same, and dispersion aid 东京应化工业株式会社 2020-11-24 — — CN disclosed
EP-3165965-B1 PHOTOSENSITIVE COMPOSITION AND COMPOUND TOKYO OHKA KOGYO CO LTD (JP) 2018-10-10 — — EP 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-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
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 (2 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 SMN1; SMN2 3169/4885NPC1 3715/4885RAB9A 2860/4885
US-20170160636-A1 PHOTOSENSITIVE COMPOSITION AND COMPOUND C1R, CRY1, C1S SMN1; SMN2 3944/4885NPC1 1861/4885RAB9A 2362/4885

“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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