SCHEMBL9778357

SCHEMBL9778357

O=C(NCNC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TAAR1 Q96RJ0 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 1/20 0.49
HTT P42858 1/20 0.49
RAD51 Q06609 1/20 0.49
SLC1A3 P43003 1/20 0.47

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
SCHEMBL16939921 0.92 HSD17B10 (0.51) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL13409453 0.91 ALDH1A1 (0.56) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL13055389 0.87 TAAR1 (0.60) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL1416169 0.83 HSD17B10 (0.58) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL21925516 0.83 HSD17B10 (0.54) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL1833771 0.83 HSD17B10 (0.58) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL18389610 0.83
SCHEMBL9276339 0.83 TAAR1 (0.57) RAB9ANPC1TAAR1GAA
SCHEMBL126140 0.83 HSD17B10 (0.54) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL11584841 0.83 HSD17B10 (0.54) HSD17B10RAB9ANPC1TAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
US-5068391-A Rearrangement of bis/N-carboalkoxyanilino/methane in the presence of hydrofluoric acid RHONE-POULENC CHIMIE (FR) 1991-11-26 US disclosed
US-5066827-A From ethyl N-phenylcarbamate and formaldehyde, trioxane, methylal or paraformaldehyde, hydrofluoric acid catalyst, intermediate for diphenylmethane diisocyanate RHONE-POULENC CHIMIE (FR) 1991-11-19 US disclosed
EP-0410900-A1 Method for the preparation of methylene di(phenylurethane) RHONE-POULENC CHIMIE (FR) 1991-01-30 EP disclosed
EP-0406129-A1 Method for the preparation of methylene di(phenylurethane) RHONE-POULENC CHIMIE (FR) 1991-01-02 EP disclosed
US-4307029-A Process for preparing polymethylene-polyphenyl polyisocyanates MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-12-22 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 (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-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY HSD17B10 592/4885RAB9A 4633/4885NPC1 2034/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY HSD17B10 592/4885RAB9A 4633/4885NPC1 2034/4885

“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.