SCHEMBL13061385

SCHEMBL13061385

O=C(NCCF)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC1 Q13547 1/20 0.59
CXCR4 P61073 2/20 0.56
PPARD Q03181 1/20 0.54
DEGS1 O15121 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
EPHX2 P34913 1/20 0.53
HAO1 Q9UJM8 1/20 0.52
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
NAMPT P43490 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CCR5 P51681 1/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL6392195 0.81 HDAC8 (0.63) HDAC6HDAC8HDAC1CXCR4PPARD
SCHEMBL7742573 0.81 CXCR4 (0.59) HDAC6HDAC8HDAC1CXCR4PPARD
SCHEMBL13061595 0.81 HDAC6 (0.58) HDAC6HDAC8HDAC1CXCR4PPARD
SCHEMBL21123537 0.79 HDAC8 (0.56) HDAC6HDAC8HDAC1CXCR4PPARD
SCHEMBL7740724 0.79 HDAC1 (0.60) HDAC6HDAC8HDAC1CXCR4HDAC3
SCHEMBL7332673 0.79 HDAC8 (0.69) HDAC6HDAC8HDAC1CXCR4DEGS1
SCHEMBL14430722 0.78 EPHX2 (0.61) HDAC6HDAC8HDAC1CXCR4EPHX2
SCHEMBL18502021 0.78 EPHX2 (0.61) HDAC6HDAC8HDAC1CXCR4EPHX2
SCHEMBL6390164 0.78 HDAC1 (0.61) HDAC6HDAC8HDAC1CXCR4HDAC3
SCHEMBL27868423 0.78 NPC1 (0.68) HDAC6HDAC8HDAC1CXCR4DEGS1

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-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 HDAC6 1441/4885HDAC8 1817/4885HDAC1 1388/4885

“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.