Sugi Predict

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SCHEMBL21891766

SCHEMBL21891766

CCC(NC(=O)Oc1ccccc1)OC(=O)CCC(NC(=O)Oc1ccccc1)C(=O)OC(CC)NC(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ FAAH O00519 1/20 0.42
▸ SIRT2 Q8IXJ6 3/20 0.41
▸ SIRT1 Q96EB6 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ SLC1A3 P43003 1/20 0.39
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 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
SCHEMBL21891825 0.93 CYP1A2 (0.46) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL23515281 0.93 CYP1A2 (0.42) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL21891888 0.92 CYP1A2 (0.41) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL21891893 0.91 FAAH (0.44) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL21891920 0.86 CYP1A2 (0.40) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL21891748 0.85 CYP1A2 (0.46) CYP1A2FAAHSIRT1MEN1KMT2A
SCHEMBL21891738 0.84 SIRT1 (0.50) CYP1A2FAAHSIRT2SIRT1
SCHEMBL21891749 0.83 CYP1A2 (0.43) CYP1A2FAAHSIRT2SIRT1ALDH1A1
SCHEMBL21891736 0.83 SIRT1 (0.54) CYP1A2SIRT2SIRT1
SCHEMBL21892083 0.81 CYP1A2 (0.45) CYP1A2FAAHSIRT2SIRT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 — — US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 — — US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 — — EP disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 CYP1A2 502/4885FAAH 563/4885SIRT2 1109/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 CYP1A2 184/4885FAAH 847/4885SIRT2 861/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 CYP1A2 502/4885FAAH 563/4885SIRT2 1109/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 CYP1A2 184/4885FAAH 847/4885SIRT2 861/4885

“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.