SCHEMBL15105035

SCHEMBL15105035

CCCc1ccccc1OC(=O)Nc1cccc(C)c1NC(=O)Oc1ccccc1CCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL15105215 0.93 THRA (0.45) NLRP3MAPK1LMNAPTGS2PKM
SCHEMBL15105025 0.92 THRA (0.50) NLRP3MAPK1LMNAPTGS2L3MBTL1
SCHEMBL15105139 0.91 NLRP3 (0.50) NLRP3MAPK1LMNAPTGS2PKM
SCHEMBL15105458 0.91 THRA (0.52) NLRP3MAPK1PTGS2L3MBTL1KMT2A
SCHEMBL15105249 0.91 THRA (0.52) NLRP3MAPK1PTGS2L3MBTL1KMT2A
SCHEMBL15105246 0.91 THRA (0.52) NLRP3MAPK1PTGS2L3MBTL1KMT2A
SCHEMBL1954918 0.89 NLRP3 (0.52) NLRP3LMNAALDH1A1MAPTL3MBTL1
SCHEMBL15105456 0.84 KMT2A (0.47) NLRP3MAPK1LMNAPKMALDH1A1
SCHEMBL1836314 0.83 THRA (0.43) L3MBTL1KMT2A
SCHEMBL1955305 0.81 NLRP3 (0.50) NLRP3MAPK1LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 — — US disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 — — EP disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 — — EP disclosed
US-9950273-B2 Method of separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-04-24 — — US disclosed
US-20180105489-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-04-19 — — US disclosed
US-9884810-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-02-06 — — US disclosed
US-20140332367-A1 Method of Separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-13 — — US disclosed
EP-2641896-A1 SEPARATION METHOD Asahi Kasei Chemicals Corporation (JP) 2013-09-25 — — EP disclosed
EP-2626345-A1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2013-08-14 — — EP disclosed
US-20130184488-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-18 — — 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 (4 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-20140332367-A1 Method of Separation CCKBR, MAOB, CA9 NLRP3 4428/4885MAPK1 2939/4885LMNA 1877/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 NLRP3 3588/4885MAPK1 1889/4885LMNA 1338/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 NLRP3 3588/4885MAPK1 1889/4885LMNA 1338/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 NLRP3 3588/4885MAPK1 1889/4885LMNA 1338/4885

“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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