SCHEMBL5147779

SCHEMBL5147779

c1cc(C2CC2)ccc1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ESR1 P03372 6/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 1/20 0.48
NOTUM Q6P988 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP11B2 P19099 1/20 0.44
HAO1 Q9UJM8 1/20 0.44

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
SCHEMBL5146632 0.97 ESR2 (0.52) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL781509 0.97 HDAC1 (0.54) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL28584923 0.93 HDAC8 (0.52) ESR2HDAC1HDAC8HDAC6NOTUM
SCHEMBL5148273 0.93 ESR2 (0.60) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL42782 0.93 HDAC8 (0.52) ESR2HDAC1HDAC8HDAC6NOTUM
SCHEMBL15260520 0.93 HDAC8 (0.52) ESR2HDAC1HDAC8HDAC6NOTUM
SCHEMBL6275125 0.93 HDAC8 (0.52) ESR2HDAC1HDAC8HDAC6NOTUM
SCHEMBL5886587 0.90 ESR2 (0.56) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL2884020 0.89 ESR2 (0.57) ESR2ESR1CYP3A4CYP2C9CYP2D6
Hydrogen Peroxide SCHEMBL11391495 0.88 HAO1 (0.55) ESR2HDAC1HDAC8HDAC6NOTUM

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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 ESR2 4173/4885HDAC1 390/4885HDAC8 434/4885

“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.