SCHEMBL498309

SCHEMBL498309

Oc1ccc(-c2cc[c]cc2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.67
ALOX5 P09917 6/20 0.62
QDPR P09417 3/20 0.56
SNCA P37840 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP17A1 P05093 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
PPM1B O75688 1/20 0.44
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL338028 0.82 APP (1.00) APPALOX5QDPRSNCACYP3A4
SCHEMBL5493701 0.80 APP (0.41) APPALOX5QDPRSNCACYP3A4
SCHEMBL3814886 0.77 ALOX5 (1.00) APPALOX5QDPRSNCA
SCHEMBL1235644 0.77 ALOX5 (1.00) APPALOX5QDPRSNCA
SCHEMBL30016853 0.77 APP (0.90) APPALOX5QDPRCYP3A4ALOX15
SCHEMBL27922800 0.77 HSD17B1 (0.55) CYP3A4
SCHEMBL12084357 0.76 APP (0.88) APPALOX5QDPRSNCACYP3A4
SCHEMBL1510280 0.76 ACMSD (0.70) CYP3A4PPM1B
SCHEMBL3987934 0.76 ALDH1A1 (0.44) APPCYP3A4ALOX15HSD17B10
SCHEMBL208526 0.76 ALDH1A1 (0.35) CYP3A4

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-20230345986-A1 CONJUGATED DIYNES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2023-11-02 US disclosed
CN-114468199-A Conjugated diynes and their use as flavor modifiers 弗门尼舍有限公司 2022-05-13 CN disclosed
CN-108147983-A A kind of sulfosalt bonding benzene polyphenol type molecular glass photoresist and its preparation method and application 中国科学院化学研究所 2018-06-12 CN disclosed
US-8105636-B2 Compositions and methods for treating inflammation and inflammation-related disorders by Plectranthus amboinicus extracts ACADEMIA SINICA (TW) 2012-01-31 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-20230345986-A1 CONJUGATED DIYNES AND THEIR USE AS FLAVOR MODIFIERS ARGLU1, PRMT6, PRMT3 APP 4835/4885ALOX5 2457/4885QDPR 340/4885

“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.