SCHEMBL5441305

SCHEMBL5441305

CCCCC(CCCC)(c1ccc(C(C)(C)C)cc1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ FDPS P14324 11/20 0.43
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GGPS1 O95749 7/20 0.39

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
SCHEMBL2032074 0.85 FDPS (0.46) FDPSESR1ESR2GGPS1
SCHEMBL11406548 0.84 PTPN1 (0.46) FDPSMEN1ALDH1A1KMT2AGGPS1
SCHEMBL11759783 0.81 PTPN1 (0.46) FDPSESR1ESR2GGPS1
SCHEMBL6769521 0.81 FDPS (0.42) FDPSESR1ESR2GGPS1
SCHEMBL28418733 0.80 GGPS1 (0.49) HDAC1HDAC3HDAC2FDPSGGPS1
SCHEMBL11411164 0.80 GGPS1 (0.49) FDPSGGPS1
SCHEMBL11475619 0.79 FDPS (0.47) FDPSGGPS1
SCHEMBL11413454 0.78 GGPS1 (0.50) FDPSGGPS1
SCHEMBL11418608 0.78 GGPS1 (0.50) FDPSGGPS1
SCHEMBL11764166 0.76 GGPS1 (0.47) FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070120113-A1 Supramolecular structures and method for forming the same NATIONAL TAIWAN UNIVERSITY (TW) 2007-05-31 — — 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-20070120113-A1 Supramolecular structures and method for forming the same RDX, NBAS, SOD1 HDAC1 3939/4885HDAC3 3485/4885HDAC2 4332/4885

“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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