SCHEMBL13061595

SCHEMBL13061595

O=C(NCC(F)F)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC1 Q13547 1/20 0.58
DEGS1 O15121 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HAO1 Q9UJM8 1/20 0.51
NAMPT P43490 2/20 0.49
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
CXCR4 P61073 1/20 0.48
PPARD Q03181 2/20 0.47
EPHX2 P34913 1/20 0.46
CCR5 P51681 1/20 0.46
MLYCD O95822 1/20 0.45
GCGR P47871 3/20 0.45
GIPR P48546 3/20 0.45
SERPINE1 P05121 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL15087727 0.84 HDAC8 (0.56) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL13061385 0.81 HDAC6 (0.59) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL7332673 0.78 HDAC8 (0.69) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL17660271 0.77 MLYCD (0.56) HDAC6HDAC8HDAC1HDAC3HDAC11
SCHEMBL14880018 0.76 HDAC6 (0.96) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL9892966 0.76 HDAC8 (0.71) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL26154128 0.75 HDAC8 (0.60) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL10283170 0.74 HDAC8 (0.69) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL6392195 0.74 HDAC8 (0.63) HDAC6HDAC8HDAC1DEGS1HDAC3
SCHEMBL7742573 0.74 CXCR4 (0.59) HDAC6HDAC8HDAC1DEGS1HDAC3

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.