SCHEMBL3553694

SCHEMBL3553694

O=C(O)[C@@H]1CCCCC1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.60
MAPK1 P28482 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL612494 1.00 MCL1 (0.60) MCL1MAPK1CA1CA2CA4
SCHEMBL17178416 0.98 MCL1 (0.58) MCL1MAPK1CA1CA2CA4
SCHEMBL8081259 0.98 MCL1 (0.58) MCL1MAPK1CA1CA2CA4
SCHEMBL7353241 0.98 MCL1 (0.58) MCL1MAPK1CA1CA2CA4
SCHEMBL28677273 0.98 MCL1 (0.58) MCL1MAPK1CA1CA2CA4
Ethane SCHEMBL4053553 0.96 MCL1 (0.56) MCL1MAPK1CA1CA2CA4
SCHEMBL22468834 0.93
SCHEMBL932332 0.93
Ethylene SCHEMBL10582422 0.88 MCL1 (0.48) MCL1MAPK1CA1CA2CA4
Ethane SCHEMBL4051846 0.88 MCL1 (0.48) MCL1MAPK1CA1CA2CA4

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-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 MCL1 470/4885MAPK1 2092/4885CA1 4799/4885

“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.