SCHEMBL5507267

SCHEMBL5507267

CC(=O)OCC=CCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.55
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
MAOB P27338 1/20 0.40
PPARG P37231 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5507266 1.00 AOC3 (0.55) AOC3ALDH1A1ALOX15MTNR1AMTNR1B
SCHEMBL7225415 0.83 LSS (0.51) ALDH1A1PPARDMAOBMAPTLMNA
SCHEMBL7225411 0.83 LSS (0.51) ALDH1A1PPARDMAOBMAPTLMNA
SCHEMBL11609914 0.81 AOC3 (0.50) AOC3ALDH1A1ALOX15MTNR1AMTNR1B
SCHEMBL1479357 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL419306 0.80 AOC3 (0.78) AOC3ALDH1A1ALOX15TDP1LMNA
SCHEMBL419305 0.80 AOC3 (0.78) AOC3ALDH1A1ALOX15TDP1LMNA
SCHEMBL9791574 0.80 AOC3 (0.52) AOC3ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL9791572 0.80 AOC3 (0.52) AOC3ALOX15MTNR1AMTNR1BL3MBTL1
SCHEMBL10325277 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 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 (3 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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 AOC3 462/4885ALDH1A1 1665/4885ALOX15 46/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 AOC3 462/4885ALDH1A1 1665/4885ALOX15 46/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 AOC3 2/4885ALDH1A1 790/4885ALOX15 301/4885

“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.