SCHEMBL5042296

SCHEMBL5042296

CC(=O)Oc1cc(C)ccc1C1(C)CC(C)(C)c2ccc(C)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
Acetic Acid SCHEMBL5042300 0.80 FTO (0.48) FTONPSR1KMT2ANPC1RAB9A
SCHEMBL17318062 0.78 FTO (0.57) FTOKMT2AALDH1A1LMNAMAPT
SCHEMBL29908705 0.77 FTO (0.54) FTOKMT2AALDH1A1LMNAMEN1
SCHEMBL4665594 0.77 FTO (0.54) FTOKMT2AALDH1A1LMNAMEN1
SCHEMBL12251392 0.77 FTO (0.42) FTOALDH1A1NPC1RAB9ALMNA
SCHEMBL9008421 0.76 FTO (0.52) FTONPSR1KMT2AATMALDH1A1
SCHEMBL24124089 0.74 FTO (0.50) FTONPSR1KMT2APOLBALDH1A1
SCHEMBL7522231 0.74 FTO (0.53) FTOKMT2A
SCHEMBL7520930 0.70 FTO (0.52) FTOATMLMNAAKR1B1KDM4E
SCHEMBL7525432 0.70 KDM4E (0.34) FTOATMALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425320-B2 Use of guaiol for treating the skin CIBA SPECIALTY CHEMICALS CORP (US) 2008-09-16 US disclosed
US-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents CIBA SPECIALTY CHEMICALS CORP. 2005-03-17 US disclosed
EP-1432400-A1 USE OF GUAIOL FOR TREATING THE SKIN Ciba SC Holding AG (CH) 2004-06-30 EP disclosed
WO-2003024417-A1 USE OF GUAIOL FOR TREATING THE SKIN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-27 WO disclosed
EP-1051410-B1 BENZO[B]PYRAN DERIVATIVES USEFUL AS EXTERNAL AGENTS FOR THE SKIN POLA CHEM IND INC (JP) 2003-03-05 EP disclosed
US-6495524-B1 PREVENTION AND AMELIORATION OF PIGMENTATION; NO ADVERSE INFLUENCES; SAFE POLA CHEMICAL INDUSTRIES INC. (JP) 2002-12-17 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-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents TYR, MC1R, UNG FTO 1161/4885NPSR1 2582/4885KMT2A 3538/4885

“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.