SCHEMBL21891778

SCHEMBL21891778

O=C(NCCOC(=O)C(Cc1ccccc1)NC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
ITGB7 P26010 2/20 0.49
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PTPN1 P18031 1/20 0.43
TACR1 P25103 2/20 0.43

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
SCHEMBL23766639 0.94 ITGB1 (0.47) ITGB1ITGA4ITGB7POLBTAAR1
SCHEMBL26860188 0.94 POLB (0.50) ITGB1ITGA4ITGB7POLBTAAR1
SCHEMBL21891818 0.85 SIRT1 (0.52)
SCHEMBL21891795 0.85 FAAH (0.43) TAAR1NPC1GAARAB9A
SCHEMBL21891799 0.84 L3MBTL1 (0.53) POLBATMSMN1; SMN2TSHRCTSL
SCHEMBL21802411 0.84 SIRT1 (0.56)
SCHEMBL12150054 0.84 FAAH (0.55) ITGB1ITGA4ITGB7POLBGAA
SCHEMBL23130277 0.84 SIRT1 (0.56)
SCHEMBL21891776 0.84 CTSK (0.45) TAAR1NPC1GAARAB9ACTSL
SCHEMBL23766704 0.83 SLC7A5 (0.49) ITGB1ITGA4ITGB7TAAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ITGB1 4794/4885ITGA4 4700/4885ITGB7 4665/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ITGB1 4794/4885ITGA4 4700/4885ITGB7 4665/4885

“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.