SCHEMBL21891795

SCHEMBL21891795

O=C(CC(NC(=O)Oc1ccccc1)C(=O)OCCNC(=O)Oc1ccccc1)OCCNC(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
CYP1A2 P05177 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
GAA P10253 1/20 0.41
SLC1A3 P43003 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL23515282 0.96 FAAH (0.40) FAAHNPC1RAB9ASIRT1CYP1A2
SCHEMBL24951185 0.92 FAAH (0.39) FAAHNPC1RAB9ASIRT1TAAR1
SCHEMBL21891750 0.88 SIRT1 (0.43) FAAHNPC1RAB9ASIRT1CYP1A2
SCHEMBL23423407 0.85 SMN1; SMN2 (0.41) FAAHNPC1RAB9ASIRT1CYP1A2
SCHEMBL21891818 0.85 SIRT1 (0.52) FAAHSIRT1
SCHEMBL21891778 0.85 ITGB1 (0.49) NPC1RAB9ATAAR1GAA
SCHEMBL23515293 0.84 NPC1 (0.41) FAAHNPC1RAB9ATAAR1GAA
SCHEMBL23130277 0.84 SIRT1 (0.56) FAAHSIRT1
SCHEMBL21891776 0.84 CTSK (0.45) NPC1RAB9ASIRT1CYP1A2TAAR1
SCHEMBL21802411 0.84 SIRT1 (0.56) FAAHSIRT1

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
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
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
WO-2021100131-A1 METHOD FOR PRODUCING ISOCYANATE 旭化成株式会社 2021-05-27 WO 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 (5 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 FAAH 563/4885NPC1 2143/4885RAB9A 3532/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 FAAH 847/4885NPC1 2887/4885RAB9A 3507/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 FAAH 563/4885NPC1 2143/4885RAB9A 3532/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 FAAH 847/4885NPC1 2887/4885RAB9A 3507/4885
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 FAAH 600/4885NPC1 2696/4885RAB9A 2033/4885

“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.