SCHEMBL20280310

SCHEMBL20280310

OCCCO/C1=C/CCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16548119 0.92 LOX (0.35) ALDH1A1
SCHEMBL26601375 0.90 ALDH1A1 (0.33) HRH3ALDH1A1
SCHEMBL27335545 0.90 ALDH1A1 (0.33) HRH3ALDH1A1
SCHEMBL2363137 0.88 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16544487 0.86 KDM1A (0.30) HRH3
SCHEMBL26124636 0.82
SCHEMBL16548117 0.81 MEN1 (0.39) ALDH1A1
SCHEMBL9501290 0.81 TSHR (0.40) HRH3ALDH1A1
SCHEMBL6160683 0.81 TSHR (0.40) HRH3ALDH1A1
SCHEMBL6160680 0.81 TSHR (0.40) HRH3ALDH1A1

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-20180170896-A1 METHODS OF PREPARING OXA-BICYCLOALKENE INT FLAVORS & FRAGRANCES INC (US) 2018-06-21 US disclosed
US-20180170896-A1 METHODS OF PREPARING OXA-BICYCLOALKENE INT FLAVORS & FRAGRANCES INC (US) 2018-06-21 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-20180170896-A1 METHODS OF PREPARING OXA-BICYCLOALKENE OTC, AOC2, AOC3 HRH3 2442/4885ALDH1A1 344/4885

“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.