SCHEMBL6855607

SCHEMBL6855607

CCOC(=O)c1ccc(CCNc2cc(Br)ccc2OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTR6 P50406 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
PPIA P62937 1/20 0.46
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ABL1 P00519 1/20 0.44
MAPK1 P28482 1/20 0.44
RIN1 Q13671 1/20 0.44

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
SCHEMBL6257530 0.83 PPIA (0.50) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL6261725 0.81 HTR7 (0.46) HDAC8HDAC1HDAC6SMN1; SMN2HTR6
SCHEMBL4643473 0.80 LRRK2 (0.49) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6259183 0.79 SMN1; SMN2 (0.63) SMN1; SMN2HTR6ALDH1A1MEN1KMT2A
SCHEMBL27733225 0.78 BRD4 (0.48) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL11254045 0.77 F2 (0.58) HDAC1GAASMN1; SMN2MAPTALDH1A1
SCHEMBL6260098 0.76 POLB (0.56) HDAC8HDAC1HDAC6HTR6MAPT
SCHEMBL6258926 0.76 CCR5 (0.55) SMN1; SMN2ALDH1A1PPIAPOLBLMNA
SCHEMBL8703991 0.76 CCR5 (0.50) SMN1; SMN2HTR6MAPTALDH1A1POLB
SCHEMBL8162193 0.76 CCR5 (0.50) SMN1; SMN2HTR6ALDH1A1LMNARAB9A

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-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 HDAC8 2549/4885HDAC1 1178/4885HDAC6 2655/4885

“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.