SCHEMBL14613138

SCHEMBL14613138

NCCCCOC(=O)c1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.55
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ ESR1 P03372 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ RNASEL Q05823 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ STS P08842 7/20 0.46
▸ PRSS1 P07477 2/20 0.46

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
SCHEMBL14613091 0.95 TDP1 (0.52) TDP1NPC1MAPTRAB9AALDH1A1
SCHEMBL14613142 0.87 TSHR (0.46) TDP1NPC1MAPTRAB9AALDH1A1
SCHEMBL13291855 0.84 TDP1 (0.56) TDP1NPC1MAPTRAB9AALDH1A1
SCHEMBL28907665 0.83 ALDH1A1 (0.69) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL21014718 0.83 NPC1 (0.55) TDP1NPC1MAPTRAB9AALDH1A1
SCHEMBL1410185 0.82 TDP1 (0.81) TDP1NPC1MAPTRAB9AALDH1A1
SCHEMBL23496578 0.81 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3386629 0.81 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL16422182 0.81 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL15962622 0.81 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1LMNA

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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-22 — — 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-20070043234-A1 Use of functionalized onium salts as a soluble support for organic synthesis NOS1, NOS2, F12 TDP1 2488/4885NPC1 1370/4885MAPT 862/4885

“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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