SCHEMBL16472560

SCHEMBL16472560

O=Cc1ccc(OCCCCCBr)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ AOX1 Q06278 1/20 0.53
▸ FDPS P14324 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ TTR P02766 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HPGD P15428 3/20 0.41
▸ TRIM24 O15164 1/20 0.41
▸ ALDH5A1 P51649 1/20 0.41
▸ ABAT P80404 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL15853570 1.00 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL31402822 1.00 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL15853575 1.00 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL2779565 0.94 ALDH1A1 (0.56) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL15853568 0.92 ALDH1A1 (0.61) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL16472557 0.92 ALDH1A1 (0.61) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL30465011 0.86 FDPS (0.58) ALDH1A1FDPSRAB9AHPGDTDP1
SCHEMBL14953129 0.85 ALDH1A1 (0.57) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL13258617 0.85 ALDH1A1 (0.57) ALDH1A1AOX1FDPSRAB9ATTR
SCHEMBL3842399 0.85 ALDH1A1 (0.57) ALDH1A1AOX1FDPSRAB9ATTR

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-20140107351-A1 Fullerene-Containing Hemicarceplexes and a Method of Purifying Fullerenes by Using the Same NATIONAL TAIWAN UNIVERSITY (TW) 2014-04-17 — — 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-20140107351-A1 Fullerene-Containing Hemicarceplexes and a Method of Purifying Fullerenes by Using the Same CYCS, CYC1, CTSV ALDH1A1 3801/4885AOX1 3365/4885FDPS 2652/4885

“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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