SCHEMBL21986717

SCHEMBL21986717

O=C(O)c1c(I)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ CYP4F2 P78329 5/20 0.38
▸ CYP4A11 Q02928 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATR Q13535 8/20 0.36
▸ HCAR3 P49019 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL21986756 0.87 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30758927 0.81 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21986883 0.81 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21216428 0.79 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31628652 0.79 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1193030 0.79 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499128 0.78 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499127 0.78 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31179070 0.78 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31179163 0.77 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — EP 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B RXRA 2630/4885RXRB 2755/4885RXRG 2683/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B RXRA 2630/4885RXRB 2755/4885RXRG 2683/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B RXRA 2630/4885RXRB 2755/4885RXRG 2683/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B RXRA 2630/4885RXRB 2755/4885RXRG 2683/4885

“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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