SCHEMBL23029040

SCHEMBL23029040

Cc1ccc(-n2c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc3c3cc4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ NR1H4 Q96RI1 3/20 0.33
▸ HTT P42858 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CCR9 P51686 1/20 0.31
▸ HCRTR2 O43614 1/20 0.30
▸ RXRA P19793 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
SCHEMBL23029042 0.90 PPARG (0.35) NR1H4PPARG
SCHEMBL21452176 0.90 PPARG (0.35) NR1H4PPARG
SCHEMBL21452027 0.89 MAT2A (0.35) NR1H4PPARG
SCHEMBL21452024 0.88 MAT2A (0.34) NR1H4PPARG
SCHEMBL21452155 0.86 PTGES (0.35) PPARG
SCHEMBL21452156 0.86 CYP2D6 (0.31) —
SCHEMBL21452056 0.86 OPRD1 (0.32) TSHR
SCHEMBL23029026 0.85 TP53 (0.35) PPARG
SCHEMBL23029027 0.85 TP53 (0.35) PPARG
SCHEMBL23029041 0.84 ALDH1A1 (0.38) HTTPPARG

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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 — — 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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, RNF10, DRD2 TSHR 1591/4885NR1H4 450/4885HTT 1442/4885

“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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