SCHEMBL21241566

SCHEMBL21241566

CC1=Cc2ccc(CNCCC3C4CC5CC(C4)CC3C5)cc2CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.38
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL18088409 0.76 HDAC6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL18088412 0.64 HDAC6 (0.67) CXCR3HDAC3HDAC4HDAC1HDAC7
SCHEMBL23181341 0.64 SMN1; SMN2 (0.49) CXCR3KDM4EALDH1A1
SCHEMBL18085901 0.62 HDAC6 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL2404705 0.61 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL2404698 0.61 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL13239080 0.60 SRD5A1 (0.37) ALDH1A1
SCHEMBL12778357 0.58 HSD17B3 (0.37) TDP1
SCHEMBL14613178 0.58 CASP1 (0.41) KDM4EALDH1A1LMNA
SCHEMBL26707971 0.57 HSD11B1 (0.37) CXCR3ALDH1A1LMNATDP1

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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2019-08-08 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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 CXCR3 3531/4885HDAC3 3/4885HDAC4 8/4885

“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.