SCHEMBL5188476

SCHEMBL5188476

[CH2]c1ccc(OC)cc1OC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ PNMT P11086 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MTNR1A P48039 4/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL1830397 0.78 PNMT (0.57) RAB9ANPC1PNMTALDH1A1MAPT
SCHEMBL26105549 0.77 ESR1 (0.47) RAB9ANPC1PNMTALDH1A1HPGD
SCHEMBL9853832 0.76 PNMT (0.42) RAB9ANPC1PKMPNMTALDH1A1
SCHEMBL7699409 0.75 PNMT (0.54) RAB9ANPC1PNMTALDH1A1MAPT
SCHEMBL60475 0.73 FABP5 (0.45) RAB9AALDH1A1MAPTKDM4EMEN1
SCHEMBL14975286 0.73 PNMT (0.51) RAB9ANPC1PNMTALDH1A1MAPT
SCHEMBL14714715 0.73 RAB9A (0.36) RAB9ANPC1PKMPNMTALDH1A1
SCHEMBL8473288 0.73 PNMT (0.54) RAB9ANPC1PNMTALDH1A1MAPT
SCHEMBL8473291 0.73 PNMT (0.54) RAB9ANPC1PNMTALDH1A1MAPT
SCHEMBL7860715 0.72 KMT2A (0.42) RAB9ANPC1PKMALDH1A1MAPT

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-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 THE PROCTER & GAMBLE COMPANY 2007-06-07 — — US disclosed
WO-2007064762-A2 CONJUGATES OF AMINO ACIDS AND VITAMIN B3 FOR PERCUTANEOUS DELIVERY OF VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2007-06-07 — — WO disclosed
EP-1792630-A1 Conjugates of amino acids and vitamin B3 for percutaneous delivery of vitamin B3 The Procter & Gamble Company (US) 2007-06-06 — — EP 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-20070128145-A1 Amino acid adducts for percutaneous delivery of vitamin B3 SLC1A5, SLC19A1, PLPBP RAB9A 2702/4885NPC1 1311/4885PKM 1894/4885

“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.

Send feedback