SCHEMBL12269137

SCHEMBL12269137

c1cnc2c(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.52
▸ CCR8 P51685 5/20 0.52
▸ LMNA P02545 5/20 0.52
▸ CCR5 P51681 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MMP2 P08253 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ GMNN O75496 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ MMP8 P22894 1/20 0.52

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
SCHEMBL12268914 0.98 CCR1 (0.53) CCR1CCR8LMNACCR5TSHR
SCHEMBL15497843 0.92 CCR1 (0.57) CCR1CCR8LMNACCR5TSHR
SCHEMBL12269157 0.84 ALDH1A1 (0.41) CCR1CCR8LMNACCR5TSHR
SCHEMBL16483535 0.84 LMNA (0.48) CCR1CCR8LMNACCR5TSHR
SCHEMBL12269038 0.83 CYP3A4 (0.46) CCR1CCR8LMNACCR5TSHR
SCHEMBL8739818 0.81 CCR1 (0.57) CCR1CCR8LMNACCR5TSHR
SCHEMBL12268978 0.81 TDP1 (0.37) CCR1CCR8LMNACCR5TSHR
SCHEMBL12268970 0.81 TDP1 (0.37) CCR1CCR8LMNACCR5TSHR
SCHEMBL16483063 0.80 CDK2 (0.44) CCR1CCR8LMNACCR5TSHR
SCHEMBL12268984 0.79 METAP2 (0.45) CCR1CCR8CCR5TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8021766-B2 layer containing an organic compound sandwiched between the pair of electrodes; high color purity, high efficiency, high luminance, and a long life; nonaggregate; cost efficiency CANON KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-8021766-B2 layer containing an organic compound sandwiched between the pair of electrodes; high color purity, high efficiency, high luminance, and a long life; nonaggregate; cost efficiency CANON KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-11-20 — — US disclosed
US-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-11-20 — — 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-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME GTF2I, FLI1, GLB1 CCR1 4785/4885CCR8 4683/4885LMNA 853/4885

“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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