SCHEMBL22063723

SCHEMBL22063723

C1=NNC(c2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ EPHX1 P07099 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL3628911 0.66 — —
SCHEMBL5279733 0.66 TSHR (0.42) TSHREPHX1CA2SLC18A3SIGMAR1
SCHEMBL19382438 0.64 EPHX1 (0.40) TSHREPHX1CA2SLC18A3SIGMAR1
SCHEMBL22842153 0.63 ATM (0.35) TSHRCA2
SCHEMBL22062906 0.63 IDO1 (0.35) TSHRCA2IDO1
SCHEMBL1456244 0.62 TSHR (0.34) TSHREPHX1CA2SLC18A3SIGMAR1
SCHEMBL5943444 0.60 TSHR (0.37) TSHRSLC18A3SIGMAR1
SCHEMBL14438929 0.59 MEN1 (0.40) TSHRSLC18A3SIGMAR1
SCHEMBL31186296 0.58 P2RX7 (0.34) TSHRCA2
SCHEMBL28780384 0.58 TSHR (0.35) TSHRSLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-11 — — 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-20200185619-A1 ORGANIC LIGHT-EMITTING DEVICE LEF1, OR10J3, CRY1 TSHR 4128/4885EPHX1 575/4885CA2 2370/4885

“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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