SCHEMBL19987726

SCHEMBL19987726

CCC(=O)CC(O)CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
TRPA1 O75762 2/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
MMP12 P39900 1/20 0.41
DPP4 P27487 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL19271697 0.85 NPC1 (0.48) NPC1CYP2C19CA1CA2CA7
SCHEMBL5575615 0.84 MMP12 (0.55) NPC1CYP2C19CA1CA2CA7
SCHEMBL3810677 0.84 MMP12 (0.55) NPC1CYP2C19CA1CA2CA7
SCHEMBL4611958 0.84 MMP12 (0.55) NPC1CYP2C19CA1CA2CA7
SCHEMBL19276019 0.83 NPC1 (0.44) NPC1CYP2C19CA1CA2CA7
SCHEMBL19255573 0.83 NPC1 (0.44) NPC1CYP2C19CA1CA2CA7
SCHEMBL9518843 0.82 NPC1 (0.49) NPC1CYP2C19CA1CA2CA7
SCHEMBL9518846 0.82 NPC1 (0.49) NPC1CYP2C19CA1CA2CA7
SCHEMBL4443943 0.81 CA1 (0.50) NPC1TRPA1CYP2C19CA1CA2
SCHEMBL4443937 0.81 CA1 (0.50) NPC1TRPA1CYP2C19CA1CA2

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 NPC1 4399/4885TRPA1 2926/4885CYP2C19 503/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A NPC1 4399/4885TRPA1 2926/4885CYP2C19 503/4885

“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.