SCHEMBL20916885

SCHEMBL20916885

CC1(C)OB(C2(c3cc(Cl)cc4c3cnn4C3CCCCO3)CC2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATR Q13535 2/20 0.30
▸ YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL30959359 0.82 DGAT2 (0.33) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30959508 0.82 CYP4F2 (0.35) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31527384 0.82 DGAT2 (0.35) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30858862 0.82 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL20581028 0.82 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL20938994 0.81 RXRA (0.41) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30602777 0.81 RXRA (0.41) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL20939437 0.78 KRAS (0.38) RXRARXRBRXRGLMNAPOLB
SCHEMBL22584363 0.78 KRAS (0.38) RXRARXRBRXRGLMNAPOLB
SCHEMBL22584365 0.78 KRAS (0.38) RXRARXRBRXRGLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 — — US disclosed
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 — — US disclosed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 — — US disclosed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 — — US disclosed
EP-3697791-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-08-26 — — EP disclosed
WO-2019076358-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-04-25 — — WO disclosed
WO-2019076358-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-04-25 — — WO 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-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF IDO1, TDO2, IDO2 RXRA 3487/4885RXRB 3197/4885RXRG 2940/4885
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof IDO1, TDO2, IDO2 RXRA 3487/4885RXRB 3197/4885RXRG 2940/4885

“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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