SCHEMBL19302002

SCHEMBL19302002

CCN(CC)C(=O)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.62
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
MAPK1 P28482 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
ADRA1A P35348 1/20 0.60
SLC6A3 Q01959 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 3/20 0.59
NPC1 O15118 3/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL2692818 0.91 KMT2A (0.61) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL11699696 0.90 NPC1 (0.55) ALOX5HDAC1HDAC2MAPK1LMNA
SCHEMBL19289874 0.86 ALOX5 (0.63) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL4075176 0.84 LMNA (0.75) ALOX5MAPK1LMNANPC1ALOX15
SCHEMBL8493143 0.83 ALOX5 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL4558654 0.83 MLYCD (0.58) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL27410606 0.81 ALOX5 (0.67) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL14382148 0.81 LMNA (0.71) ALOX5HDAC3HDAC1HDAC2HDAC6
SCHEMBL4075172 0.80 LMNA (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL25516970 0.79 ALOX5 (0.54) ALOX5MAPK1LMNANPC1ALOX15

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-20170247382-A1 SMALL MOLECULES TARGETING ANDROGEN RECEPTOR NUCLEAR LOCALIZATION AND/OR LEVEL IN PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-08-31 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-20170247382-A1 SMALL MOLECULES TARGETING ANDROGEN RECEPTOR NUCLEAR LOCALIZATION AND/OR LEVEL IN PROSTATE CANCER AR, NCOR1, NCOA1 ALOX5 4097/4885HDAC3 88/4885HDAC1 61/4885

“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.