SCHEMBL25936347

SCHEMBL25936347

C=Cc1cccc2c1[nH]c1c(C=C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ PIM1 P11309 4/20 0.35
▸ PIM3 Q86V86 4/20 0.35
▸ KIF11 P52732 3/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ PARP1 P09874 2/20 0.32
▸ ESR2 Q92731 1/20 0.31
▸ DPYD Q12882 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ PIM2 Q9P1W9 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
Pavettine SCHEMBL36138 0.86 KIF11 (0.53) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL28686824 0.86 KIF11 (0.53) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL29450528 0.86 KIF11 (0.53) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL11798972 0.84 KIF11 (0.52) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL9643901 0.84 KIF11 (0.52) ALDH1A1PIM1PIM3KIF11AHR
Pavettine SCHEMBL10336589 0.84 KIF11 (0.52) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL11349640 0.84 KIF11 (0.52) ALDH1A1PIM1PIM3KIF11PARP1
Pavettine SCHEMBL7027032 0.81 KIF11 (0.49) ALDH1A1PIM1PIM3KIF11AHR
Pavettine SCHEMBL25415620 0.78 KIF11 (0.46) ALDH1A1PIM1PIM3KIF11AHR
Pavettine SCHEMBL4350253 0.78 KIF11 (0.46) ALDH1A1PIM1PIM3KIF11AHR

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-20230250112-A1 ORGANIC COMPOUNDS AND APPLICATIONS THEREOF IN OPTOELECTRONIC FIELD Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-08-10 — — 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-20230250112-A1 ORGANIC COMPOUNDS AND APPLICATIONS THEREOF IN OPTOELECTRONIC FIELD AOX1, AOC2, OR10J3 ALDH1A1 80/4885PIM1 2961/4885PIM3 3003/4885

“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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