SCHEMBL18255992

SCHEMBL18255992

Cc1cc(CCCCCl)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.38
GRIN2B Q13224 2/20 0.38
P2RX7 Q99572 1/20 0.38
DAO P14920 1/20 0.37
GRIN1 Q05586 1/20 0.33
FFAR1 O14842 1/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL19304378 0.81 GPR84 (0.42) KCNH2GRIN2BP2RX7DAO
SCHEMBL14424414 0.81 MEN1 (0.44) KCNH2GRIN2BP2RX7DAO
SCHEMBL343813 0.78
Hydrochloric Acid SCHEMBL1193206 0.78 KCNH2 (0.43) KCNH2GRIN2BP2RX7DAOMPO
SCHEMBL10077232 0.76 MEN1 (0.40) KCNH2GRIN2BP2RX7DAOFFAR1
SCHEMBL1233607 0.75 PTGER1 (0.35)
SCHEMBL19634920 0.75 P2RX7 (0.40) KCNH2GRIN2BP2RX7DAOFFAR1
SCHEMBL14537632 0.75 KCNH2 (0.39) KCNH2GRIN2BP2RX7DAOMPO
SCHEMBL8234799 0.75 TDP1 (0.41) KCNH2GRIN2BP2RX7DAOMPO
SCHEMBL27677078 0.75 KCNH2 (0.39) KCNH2GRIN2BP2RX7DAOMPO

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-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
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO 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 KCNH2 3737/4885GRIN2B 3058/4885P2RX7 64/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A KCNH2 3737/4885GRIN2B 3058/4885P2RX7 64/4885

“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.