SCHEMBL19328293

SCHEMBL19328293

COc1cc(C=CC(=O)O)c(C)c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 2/20 0.61
HTR1A P08908 1/20 0.61
HTR2C P28335 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
NFE2L2 Q16236 2/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45

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
SCHEMBL976533 0.88 PKM (0.58) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL3789794 0.87 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL3789790 0.87 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28562989 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28562986 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6852555 0.81 NFE2L2 (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6852559 0.81 NFE2L2 (0.69) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28630448 0.81 PKM (0.61) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL12672381 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL14966221 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116920094-A Use of Bufinager (BN-29) for the treatment of pneumonia caused by human coronavirus 229E infection 内蒙古医科大学 2023-10-24 CN claimed
CN-116920094-A Use of Bufinager (BN-29) for the treatment of pneumonia caused by human coronavirus 229E infection 内蒙古医科大学 2023-10-24 CN disclosed
CN-116920094-A Use of Bufinager (BN-29) for the treatment of pneumonia caused by human coronavirus 229E infection 内蒙古医科大学 2023-10-24 CN disclosed
CN-114515292-B Application of 3,6' -dibapinyl sucrose ester in preparing medicine for treating anxiety 北京中医药大学 2023-04-07 CN disclosed
EP-3225616-B1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF UNIV NORTHWEST (CN) 2020-03-04 EP disclosed
US-10131619-B2 α-Asary-laldehyde ester, preparation method therefor, and application thereof NORTHWEST UNIVERSITY (CN) 2018-11-20 US disclosed
EP-3225616-A1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
CN-107050100-A Red stilbene Chinese medicine is taken after being infused in hot water or decoction medicine materical crude slice 江苏苏轩堂药业有限公司 2017-08-18 CN 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-10131619-B2 α-Asary-laldehyde ester, preparation method therefor, and application thereof ALDH7A1, LSS, CYP51A1 KDM4E 2585/4885ALDH1A1 4/4885HPGD 121/4885
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 KDM4E 509/4885ALDH1A1 49/4885HPGD 709/4885

“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.