SCHEMBL5981593

SCHEMBL5981593

Cc1c(O)cccc1NC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 4/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ CXCR2 P25025 2/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ PPIA P62937 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL13801654 0.81 KDM4E (0.58) IDO1GAAMAPTKDM4ELMNA
SCHEMBL10861189 0.80 GAA (0.33) IDO1GAAMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL10374210 0.79 LMNA (0.33) IDO1GAAMAPTLMNAALOX12
SCHEMBL5173169 0.77 IDO1 (0.61) IDO1GAAMAPTKDM4ELMNA
SCHEMBL3477004 0.76 IDO1 (0.64) IDO1GAAMAPTKDM4ELMNA
SCHEMBL15928746 0.75 GAA (0.66) IDO1GAAMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL11008586 0.74 IDO1 (0.62) IDO1GAAMAPTKDM4ELMNA
SCHEMBL11034755 0.74 IDO1 (0.81) IDO1GAAMAPTKDM4ELMNA
SCHEMBL14857780 0.74 KDM4E (0.50) IDO1GAAMAPTKDM4ELMNA
SCHEMBL7938078 0.72 TRPA1 (0.54) GAAMAPTKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 — — US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 — — US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 — — EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 — — WO 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 (2 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 IDO1 3582/4885GAA 347/4885MAPT 2207/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 IDO1 3582/4885GAA 347/4885MAPT 2207/4885

“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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