SCHEMBL10088105

SCHEMBL10088105

CC(C)CCCCC(=O)NCCCCC(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ ALB P02768 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL10088128 0.89 CASP2 (0.53) HPGDALDH1A1EPHX2CASP2NOD1
SCHEMBL10088106 0.85 FAAH (0.36) LMNAPKMHPGDALDH1A1EPHX2
SCHEMBL24818366 0.85 NAMPT (0.52) LMNAPKMHPGDNAMPTCNR1
SCHEMBL10345306 0.85 NAMPT (0.52) LMNAPKMHPGDNAMPTCNR1
SCHEMBL10345059 0.85 NAMPT (0.52) LMNAPKMHPGDNAMPTCNR1
SCHEMBL10660707 0.85 NAMPT (0.52) LMNAPKMHPGDNAMPTCNR1
SCHEMBL10359007 0.84 FAAH (0.53) CNR1EPHX2CASP2NOD1FAAH
SCHEMBL10088088 0.84 HPGD (0.42) LMNAPKMHPGDCNR1ALDH1A1
SCHEMBL19239788 0.83 ALDH1A1 (0.52) LMNAPKMHPGDNAMPTCNR1
SCHEMBL23471810 0.83 ALDH1A1 (0.50) LMNAPKMHPGDNAMPTCNR1

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-8092782-B2 Polybiotin compounds of magnetic resonance imaging and drug delivery THE GENERAL HOSPITAL CORPORATION (US) 2012-01-10 — — US disclosed
US-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery THE GENERAL HOSPITAL CORPORATION (US) 2009-01-08 — — US disclosed
US-7438893-B2 Polybiotin compounds for magnetic resonance imaging and drug delivery MASSACHUSETTS GENERAL HOSPITAL (US) 2008-10-21 — — 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-20090010845-A1 Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery BTD, BCAT1, BRD4 LMNA 1434/4885PKM 2141/4885HPGD 2524/4885

“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.

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