SCHEMBL21891762

SCHEMBL21891762

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
BCL2 P10415 1/20 0.44
SIRT1 Q96EB6 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 1/20 0.43
ANPEP P15144 1/20 0.41
CYP1A2 P05177 1/20 0.41
PPID Q08752 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL23423232 1.00 POLB (0.45) POLBGAABCL2SIRT1CYP3A4
SCHEMBL21891811 0.92 POLB (0.49) POLBGAABCL2SIRT1CYP3A4
SCHEMBL23130334 0.86 NPC1 (0.41) POLBGAABCL2CYP3A4CYP2C19
SCHEMBL21891858 0.85 PPID (0.52) POLBGAABCL2CYP3A4CYP2C19
SCHEMBL21891818 0.85 SIRT1 (0.52) SIRT1SIRT2
SCHEMBL23130277 0.84 SIRT1 (0.56) SIRT1SIRT2
SCHEMBL21802411 0.84 SIRT1 (0.56) SIRT1SIRT2
SCHEMBL21891750 0.83 SIRT1 (0.43) GAASIRT1CYP1A2SIRT2NPC1
SCHEMBL1839387 0.82 NPSR1 (0.53) GAACA1
SCHEMBL5259541 0.82 NPSR1 (0.53) GAACA1

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-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 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 (3 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 POLB 376/4885GAA 1174/4885BCL2 2467/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 POLB 376/4885GAA 1174/4885BCL2 2467/4885
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 POLB 861/4885GAA 1251/4885BCL2 1781/4885

“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.