SCHEMBL31480731

SCHEMBL31480731

CN(CCNCC(=O)OCc1ccccc1)C(=O)OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.42
▸ HDAC1 Q13547 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABCC3 O15438 1/20 0.37
▸ NR1I2 O75469 1/20 0.37

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
SCHEMBL31480884 0.86 CCR6 (0.42) CYP2D6CCR6PAX8MAPTRAB9A
SCHEMBL31480883 0.85 CETP (0.40) CYP2D6HDAC1CCR6PAX8MAPT
SCHEMBL31480765 0.81 HDAC1 (0.45) HDAC1MAPTALDH1A1MAPK1HPGD
SCHEMBL31480773 0.79 IDO1 (0.44) HDAC1MAPTKMT2ALMNAMAPK1
SCHEMBL31480877 0.79 HDAC1 (0.37) HDAC1MAPTKMT2ALMNAALDH1A1
SCHEMBL31480704 0.78 L3MBTL1 (0.42) HDAC1MAPTALDH1A1L3MBTL1HPGD
SCHEMBL9190951 0.77 LTA4H (0.50) CYP2D6CCR6PAX8MAPTRAB9A
SCHEMBL31480820 0.77 CCR6 (0.41) CCR6PAX8MAPTRAB9AKMT2A
SCHEMBL8695457 0.77 CCR6 (0.44) CYP2D6HDAC1CCR6PAX8MAPT
SCHEMBL1678201 0.75 DRD2 (0.50) CYP2D6HDAC1CCR6PAX8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 — — WO disclosed
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 — — 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 (1 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-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CYP2D6 60/4885HDAC1 371/4885CCR6 920/4885

“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.

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