SCHEMBL9876388

SCHEMBL9876388

O=CCCCc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
RAB9A P51151 1/20 0.43
CFTR P13569 1/20 0.43
CYP1A2 P05177 2/20 0.42
PDE10A Q9Y233 2/20 0.42
TRPV1 Q8NER1 5/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4813471 0.90 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11597016 0.83 CYP1A2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL272056 0.82 CYP1A2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL273345 0.82 PDGFRB (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3396692 0.81 CYP1A2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL272740 0.81 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6614214 0.80 PDGFRB (0.50) PDGFRBPDGFRARAB9ACFTRCYP1A2
SCHEMBL2384202 0.80 DAO (0.51) HDAC3HDAC6RAB9AALDH1A1
SCHEMBL27653691 0.80 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6264069 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 HDAC3 633/4885HDAC4 1363/4885HDAC1 1271/4885

“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.