SCHEMBL21891772

SCHEMBL21891772

O=C(NCC1CCCCC1CNC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 3/20 0.58
HSD17B10 Q99714 1/20 0.47
FAAH O00519 1/20 0.46
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LHCGR P22888 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL21891967 0.94 ALDH1A1 (0.53) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL8396460 0.87 ALDH1A1 (0.66) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL8392988 0.86 ALDH1A1 (0.64) ALDH1A1RAB9AFAAHNPC1SMN1; SMN2
SCHEMBL8395670 0.86 ALDH1A1 (0.64) ALDH1A1RAB9AFAAHNPC1SMN1; SMN2
SCHEMBL8393242 0.84 ALDH1A1 (0.66) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL8392199 0.83 ALDH1A1 (0.69) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL7909635 0.83 ALDH1A1 (0.53) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL25488384 0.81 ALDH1A1 (0.63) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL7905615 0.81 ALDH1A1 (0.52) ALDH1A1RAB9AHSD17B10FAAHNPC1
SCHEMBL9267844 0.81 ALDH1A1 (0.61) ALDH1A1RAB9AFAAHNPC1SMN1; 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 4 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
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 ALDH1A1 781/4885RAB9A 3532/4885HSD17B10 1433/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885RAB9A 3507/4885HSD17B10 285/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 ALDH1A1 781/4885RAB9A 3532/4885HSD17B10 1433/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885RAB9A 3507/4885HSD17B10 285/4885

“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.