Xanthorrizol

Xanthorrizol

SCHEMBL13816855

CC(C)=CCC[C@H](C)c1ccc(C)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
PTGS1 P23219 2/20 0.51
TRPA1 O75762 1/20 0.51
CACNA1C Q13936 1/20 0.51
PTPN1 P18031 3/20 0.49
MSR1 P21757 1/20 0.41
MAOB P27338 3/20 0.38
APP P05067 2/20 0.38
ALOX15 P16050 3/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34

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
Xanthorrizol SCHEMBL14879579 1.00 SRC (0.56) SRCPTGS1TRPA1CACNA1CPTPN1
Xanthorrizol SCHEMBL14115131 1.00 SRC (0.56) SRCPTGS1TRPA1CACNA1CPTPN1
Citronellol SCHEMBL8076836 0.80 ALOX15 (0.55) SRCPTGS1TRPA1CACNA1CPTPN1
SCHEMBL17627685 0.78 SRC (0.59) SRCPTPN1MSR1ALOX15ALDH1A1
SCHEMBL156333 0.78 SRC (0.59) SRCPTPN1MSR1ALOX15ALDH1A1
SCHEMBL309480 0.78 SRC (0.59) SRCPTPN1MSR1ALOX15ALDH1A1
SCHEMBL14283768 0.76 SRC (0.66) SRCPTPN1MSR1MAOBAPP
Geraniol SCHEMBL15012445 0.75 TRPA1 (0.55) PTGS1TRPA1CACNA1CPTPN1MAOB
Geraniol SCHEMBL15012448 0.75 TRPA1 (0.55) PTGS1TRPA1CACNA1CPTPN1MAOB
SCHEMBL4401036 0.74 TRPA1 (0.64) PTGS1TRPA1CACNA1CALOX15ALDH1A1

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-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES WONKWANG UNIVERSITY CENTER FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-03-15 US disclosed
US-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES WONKWANG UNIVERSITY CENTER FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-03-15 US disclosed
US-20090156688-A1 SUPPRESSANT OF TOXICITY INDUCED BY CANCER CHEMOTHERAPEUTIC AGENT AND COMPOSITION OF CANCER CHEMOTHERAPEUTIC AGENT CONTAINING THE SAME BIOCARE CO. LTD. 2009-06-18 US disclosed
US-20090156688-A1 SUPPRESSANT OF TOXICITY INDUCED BY CANCER CHEMOTHERAPEUTIC AGENT AND COMPOSITION OF CANCER CHEMOTHERAPEUTIC AGENT CONTAINING THE SAME BIOCARE CO. LTD. 2009-06-18 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 (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-20090156688-A1 SUPPRESSANT OF TOXICITY INDUCED BY CANCER CHEMOTHERAPEUTIC AGENT AND COMPOSITION OF CANCER CHEMOTHERAPEUTIC AGENT CONTAINING THE SAME CYP27A1, GOT2, UGT1A1 SRC 1702/4885PTGS1 1462/4885TRPA1 4372/4885
US-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES RAB35, GANC, GALE SRC 3533/4885PTGS1 3869/4885TRPA1 627/4885

“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.