SCHEMBL25880386

SCHEMBL25880386

c1ccc(C2CCCCC2)c(-c2ccc3c4c2c2ccccc2n4c2ccc(-c4ccccc4C4CCCCC4)c4c5ccccc5n3c42)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.32
▸ PTPN5 P54829 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ PTPRC P08575 1/20 0.30
▸ PTPRF P10586 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CDC25B P30305 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
SCHEMBL4476575 0.73 PTGS2 (0.56) PTGS2BCHEACHEPTGDR2PTPN5
Phosphine SCHEMBL2085257 0.72 PTGS2 (0.54) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL22178714 0.70 MEN1 (0.38) MEN1LMNAXBP1CRHBPMAPK1
SCHEMBL22178506 0.68 PARP1 (0.38) ACHEMEN1LMNAXBP1CRHBP
SCHEMBL31683716 0.67 HSP90AA1 (0.40) MEN1CRHBPKMT2ACRHR2PTPN1
SCHEMBL60703 0.67 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL24078219 0.67 HSP90AA1 (0.40) MEN1CRHBPKMT2ACRHR2PTPN1
SCHEMBL30407966 0.67 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
Cyclohexane SCHEMBL9787037 0.67 PTGS2 (0.63) PTGS2BCHEACHEPTGDR2PTPN5
SCHEMBL4060622 0.66 PTGS2 (0.47) PTGS2BCHEACHEPTGDR2PTPN5

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
US-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — US disclosed
US-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — 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-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, LAGE3, NQO1 PTGS2 545/4885BCHE 1170/4885ACHE 100/4885

“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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