SCHEMBL19987762

SCHEMBL19987762

CCC(=O)CC(=O)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
FOLH1 Q04609 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 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
SCHEMBL12655265 0.92 TSHR (0.48) SMN1; SMN2HTTTSHRALDH1A1LMNA
Acetic Acid SCHEMBL3692625 0.89 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL14949713 0.86 ALDH1A1 (0.46) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL9152709 0.85 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL8316692 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL13041145 0.84 ALDH1A1 (0.47) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL7708032 0.84 TSHR (0.56) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL6508631 0.84 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRALDH1A1LMNA
SCHEMBL9152703 0.83 NPC1 (0.51) SMN1; SMN2TSHRALDH1A1GAARAB9A
SCHEMBL11895814 0.83 TSHR (0.47) SMN1; SMN2HTTTSHRALDH1A1LMNA

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-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885HTT 2349/4885TSHR 3240/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885HTT 2349/4885TSHR 3240/4885

“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.