SCHEMBL21891809

SCHEMBL21891809

O=C(CNC(=O)Oc1ccccc1)OCCNC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
FAAH O00519 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL23766671 0.86 TAAR1 (0.44) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL11182754 0.83 PPID (0.57) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL21891868 0.82 NPC1 (0.49) TAAR1NPC1RAB9AGAAMTNR1A
SCHEMBL26174338 0.82 SMN1; SMN2 (0.60) TAAR1NPC1RAB9AGAAMTNR1A
SCHEMBL6758975 0.81 FAAH (0.61) NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL6755974 0.81 FAAH (0.61) NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL18352553 0.81 ZDHHC2 (0.48) TAAR1NPC1RAB9AGAAMTNR1A
SCHEMBL13055389 0.81 TAAR1 (0.60) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL23515527 0.80 NPC1 (0.42) TAAR1NPC1RAB9AGAAMTNR1A
SCHEMBL21892102 0.80 RAB9A (0.53) TAAR1NPC1RAB9AGAASMN1; SMN2

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 TAAR1 3039/4885NPC1 2143/4885RAB9A 3532/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 TAAR1 4458/4885NPC1 2887/4885RAB9A 3507/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 TAAR1 3039/4885NPC1 2143/4885RAB9A 3532/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 TAAR1 4458/4885NPC1 2887/4885RAB9A 3507/4885

“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.