SCHEMBL4730656

SCHEMBL4730656

CCCCC(CC)Cc1cc(OC)ccc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 4/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.54
PGR P06401 2/20 0.54
SLC6A2 P23975 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
PDE4A P27815 1/20 0.54
HRH1 P35367 1/20 0.54
HTT P42858 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDE4D Q08499 1/20 0.54
POLB P06746 2/20 0.46
CYP3A4 P08684 2/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4730662 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1HPGDCYP1A2
SCHEMBL30431499 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1HPGDCYP3A4
SCHEMBL30405946 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1HTTCYP3A4
Bicarbonate SCHEMBL6765194 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1HPGDCYP3A4
Benzophenone SCHEMBL27596948 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1HPGDCYP3A4
SCHEMBL63069 0.81 TAS1R3 (0.42) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL10293784 0.80 LMNA (0.68) ALDH1A1LMNAMAPK1HPGDCYP1A2
SCHEMBL4285794 0.80 MAPK1 (0.57) ALDH1A1LMNAMAPK1HPGDCYP1A2
Octisalate SCHEMBL2783632 0.77 LMNA (0.69) ALDH1A1LMNAMAPK1HPGDCYP1A2
Octisalate SCHEMBL5457329 0.77 LMNA (0.69) ALDH1A1LMNAMAPK1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080095720-A1 Vitamin A, Vitamin B3, humectant, aloe vera, pigmentary or sunscreen grade metal oxide, Vitamin C, resorcinol, an antisebum agent, or a hydroxy fatty acid and capsazepine; wrinkle resistance cosmetics CONOPCO, INC., D/B/A UNILEVER (US) 2008-04-24 US disclosed
WO-2008046788-A1 SKIN BENEFIT COMPOSITIONS WITH A VANILLOID RECEPTOR ANTAGONIST UNILEVER PLC (GB) 2008-04-24 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 (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-20080095720-A1 Vitamin A, Vitamin B3, humectant, aloe vera, pigmentary or sunscreen grade metal oxide, Vitamin C, resorcinol, an antisebum agent, or a hydroxy fatty acid and capsazepine; wrinkle resistance cosmetics RBP4, ALOX15, ALOX15B ALDH1A1 719/4885LMNA 1678/4885MAPK1 3349/4885

“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.