SCHEMBL17186181

SCHEMBL17186181

CC=CC(CCCCCC)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.40
▸ HDAC8 Q9BY41 7/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ EPHX1 P07099 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SOAT2 O75908 1/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NR5A2 O00482 1/20 0.35

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
SCHEMBL17186180 1.00 CSNK1E (0.40) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL1453687 0.85 TDP1 (0.39) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL1454746 0.80 TDP1 (0.41) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL21870773 0.80 TDP1 (0.43) ALDH1A1TDP1
SCHEMBL29067608 0.79 KCNH3 (0.39) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL17711573 0.77 HDAC8 (0.43) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL23861793 0.76 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL21499101 0.76 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL4688472 0.76 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL20987622 0.76 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1

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-20170029453-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-02-02 — — US disclosed
WO-2015159225-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-22 — — WO 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-20170029453-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME FHIT, PNMT, HNMT CSNK1E 2364/4885HDAC8 3519/4885HDAC3 3958/4885

“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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