SCHEMBL18930278

SCHEMBL18930278

CCCC(C)(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CNR2 P34972 5/20 0.45
LMNA P02545 1/20 0.44
TYR P14679 1/20 0.44
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
TP53 P04637 1/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
CNR1 P21554 1/20 0.38
KIF11 P52732 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
AR P10275 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL21148087 0.88 RAB9A (0.55) TSHRCNR2LMNAAPP
SCHEMBL25449464 0.88 ALDH1A1 (0.40) TSHRCNR2LMNATYRESR1
SCHEMBL12787068 0.83 CYP2D6 (0.40) TSHRCNR2LMNATP53CNR1
SCHEMBL14670231 0.83 CNR2 (0.44) CNR2ESR1ESR2CNR1AR
SCHEMBL23616384 0.83 CNR2 (0.44) CNR2ESR1ESR2CNR1AR
SCHEMBL12981405 0.83 TSHR (0.50) TSHRCNR2ESR1ESR2ACHE
SCHEMBL19987501 0.81 CNR2 (0.42) TSHRCNR2ESR1ESR2KIF11
SCHEMBL16823983 0.81 CNR2 (0.42) TSHRCNR2ESR1ESR2TP53
SCHEMBL21179496 0.81 ESR1 (0.43) CNR2ESR1ESR2CNR1AR
SCHEMBL199692 0.81 ESR1 (0.65) TSHRCNR2LMNATYRESR1

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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885CNR2 3868/4885LMNA 3118/4885

“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.