SCHEMBL30969437

SCHEMBL30969437

[2H]C([2H])(c1ccnc(Cl)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.53
▸ LOX P28300 1/20 0.53
▸ LOXL3 P58215 1/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ GRM5 P41594 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ AAK1 Q2M2I8 6/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ MGMT P16455 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL10159790 0.81 RECQL (0.57) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL21331552 0.74 LOX (0.53) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL805501 0.74 — —
SCHEMBL24974311 0.73 RECQL (0.52) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL1503624 0.71 — —
Methylene Chloride SCHEMBL28291344 0.71 RECQL (0.59) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL4438687 0.71 RECQL (0.59) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL13177492 0.70 — —
Hydrochloric Acid SCHEMBL7458809 0.70 LOXL2 (0.63) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL451390 0.70 — —

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-20240182505-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-06 — — 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-20240182505-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE OR10J3, CRY1, CHRM1 RECQL 520/4885LOX 1722/4885LOXL3 421/4885

“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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