SCHEMBL728513

SCHEMBL728513

CCC(CC)COC(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 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
SCHEMBL11177661 0.88 ALDH1A1 (0.63) CYP1A2ALDH1A1CA2CYP3A4PRSS1
SCHEMBL28023159 0.87 ALDH1A1 (0.62) CYP1A2ALDH1A1CA2CYP3A4PRSS1
SCHEMBL10836356 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1ATML3MBTL1MAPT
SCHEMBL10835294 0.83 CYP1A2 (0.49) CYP1A2ALDH1A1CA2CYP3A4ATM
SCHEMBL1790169 0.82 ALDH1A1 (0.55) CYP1A2ALDH1A1CA2ATML3MBTL1
SCHEMBL13599587 0.81 ALOX15 (0.41) CYP1A2ALDH1A1ATML3MBTL1MAPT
Phenol SCHEMBL2364208 0.81 ALDH1A1 (0.46) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL37520 0.80 MAPT (0.56) CYP1A2ALDH1A1MAPTTDP1MAPK1
SCHEMBL9122469 0.79 ATM (0.42) CYP1A2ALDH1A1ATML3MBTL1MAPT
SCHEMBL10836796 0.79 MTNR1A (0.45) CYP1A2ALDH1A1ATML3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829854-B1 PROCESS FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2013-09-04 — — EP disclosed
EP-1837328-B1 PROCESS FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2013-08-28 — — EP disclosed
US-8138367-B2 ester interchange, reactive distillation, catalytic aromatization in presence of titanium tetraphenoxide to form diphenyl carbonate, can be produced continuously with a high yield ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-20 — — US disclosed
EP-1640357-B1 METHOD FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2011-08-31 — — EP disclosed
US-7652122-B2 Method for producing an aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-01-26 — — US disclosed
US-7629485-B2 Process for producing aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-12-08 — — US disclosed
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 — — US disclosed
US-20080097116-A1 Process for Production of Aromatic Carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2008-04-24 — — US disclosed
EP-1837328-A1 PROCESS FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2007-09-26 — — EP disclosed
EP-1829854-A1 PROCESS FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2007-09-05 — — EP disclosed
US-20070055042-A1 Method for producing an aromatic carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-03-08 — — US disclosed
EP-1640357-A1 METHOD FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2006-03-29 — — 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 (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-20080097116-A1 Process for Production of Aromatic Carbonate ADH1A, ADH1C, AKR1C4 CYP1A2 41/4885ALDH1A1 225/4885CA2 30/4885
US-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 CYP1A2 596/4885ALDH1A1 4123/4885CA2 838/4885

“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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