SCHEMBL12320144

SCHEMBL12320144

CNc1ccccc1Nc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ KIF11 P52732 2/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SENP8 Q96LD8 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36

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
SCHEMBL30719048 0.85 CSNK1D (0.47) CSNK1DESR1LMNAALDH1A1GAA
SCHEMBL23927543 0.85 CSNK1D (0.47) CSNK1DESR1LMNAALDH1A1GAA
SCHEMBL12320134 0.85 GAA (0.45) CSNK1DKIF11TP53SLC2A1ALDH1A1
SCHEMBL12320095 0.80 RAPGEF4 (0.55) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL19087611 0.79 TAS2R14 (0.50) TP53SLC2A1LMNAALDH1A1NPC1
SCHEMBL12320094 0.77 MAPT (0.48) TP53SLC2A1LMNAALDH1A1NPC1
SCHEMBL28194326 0.74 AKR1C3 (0.49) CSNK1DSLC2A1LMNAALDH1A1GAA
SCHEMBL31231923 0.74 MAPT (0.52) LMNAALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL16418618 0.74 TSHR (0.41) ESR1LMNAALDH1A1NPC1CASP3
SCHEMBL12320096 0.73 MAPT (0.36) MAPK13MAPK12MAPK11MAPK14TP53

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-8017774-B2 Producing method for iridium complex CANON KABUSHIKI KAISHA (JP) 2011-09-13 — — US disclosed
US-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX CANON KABUSHIKI KAISHA (JP) 2007-10-04 — — 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-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX LAGE3, EML4, INTS9 CSNK1D 4218/4885ESR1 98/4885KIF11 1445/4885

“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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