SCHEMBL13798571

SCHEMBL13798571

CCNc1ccc(C(O)(CF)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ ADRA2A P08913 4/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NR1H2 P55055 3/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ AR P10275 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ HTT P42858 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
SCHEMBL2080679 0.80 NR1H3 (0.56) SMN1; SMN2NR1H2NR1H3RORC
SCHEMBL4597093 0.79 HSD11B1 (0.44) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL10721177 0.76 ESR1 (0.45) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL1797711 0.75 KIF11 (0.52) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL18595674 0.74 TRPV1 (0.37) MAPTSMN1; SMN2NR1H2NR1H3LMNA
Hydrochloric Acid SCHEMBL28869473 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
Bromide SCHEMBL29203652 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
Iodide SCHEMBL29229874 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL18156890 0.74 ADRA2A (0.46) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL16328346 0.72 CA1 (0.38) MAPTSMN1; SMN2NR1H2NR1H3LMNA

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-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 — — US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 — — 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 (2 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-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 MAPT 1399/4885ADRA2A 3224/4885ADRA2B 3438/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 MAPT 1399/4885ADRA2A 3224/4885ADRA2B 3438/4885

“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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