SCHEMBL4090523

SCHEMBL4090523

COc1cc(C=O)ccc1OC(=O)CCC(=O)Oc1ccc(C=O)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
TSHR P16473 1/20 0.66
FDPS P14324 1/20 0.61
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
TOP2A P11388 3/20 0.56
AOX1 Q06278 1/20 0.56
TRIM24 O15164 1/20 0.56
HPGD P15428 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
AKR1C3 P42330 1/20 0.55

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
SCHEMBL31756896 0.94 TOP2A (0.63) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31096971 0.94 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL15096317 0.93 KMT2A (0.59) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL13765412 0.93 ALDH1A1 (0.57) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4641527 0.92 ALDH1A1 (0.60) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL27603749 0.92 TOP2A (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL891609 0.92 ALDH1A1 (0.60) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4644347 0.91 ALDH1A1 (0.58) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4645154 0.91 TOP2A (0.61) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL13765408 0.90 ALDH1A1 (0.57) ALDH1A1TSHRFDPSKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN claimed
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN disclosed
US-10457792-B2 Polarizing plate protective film, polarizing plate, and display device FUJIFILM CORPORATION (JP) 2019-10-29 US disclosed
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 ALDH1A1 967/4885TSHR 4345/4885FDPS 174/4885
US-10457792-B2 Polarizing plate protective film, polarizing plate, and display device NBAS, SSB, GNA15 ALDH1A1 3809/4885TSHR 1636/4885FDPS 2796/4885
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE NBAS, SSB, BIRC5 ALDH1A1 4014/4885TSHR 1685/4885FDPS 2943/4885

“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.