SCHEMBL20185592

SCHEMBL20185592

CCC(O)C(CCOCc1ccccc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
FOLH1 Q04609 1/20 0.40
ABCB1 P08183 1/20 0.39
MIF P14174 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL2916631 0.80 NPC1 (0.46) SMN1; SMN2LMNANPC1
SCHEMBL2917355 0.80 NPC1 (0.46) SMN1; SMN2LMNANPC1
SCHEMBL1114734 0.80 MAPT (0.40) SMN1; SMN2HTTCYP2C19LTA4HKMT2A
SCHEMBL1975707 0.80 MAPT (0.40) SMN1; SMN2HTTCYP2C19LTA4HKMT2A
SCHEMBL27440241 0.79 TRPA1 (0.47) SMN1; SMN2HTTCYP2C19ALDH1A1KMT2A
SCHEMBL14437758 0.79 HTT (0.41) SMN1; SMN2HTTCYP2C19LTA4HKMT2A
SCHEMBL5549557 0.79 HTT (0.41) SMN1; SMN2HTTCYP2C19LTA4HKMT2A
SCHEMBL5552489 0.79 HTT (0.41) SMN1; SMN2HTTCYP2C19LTA4HKMT2A
SCHEMBL11116485 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HTTCYP2C19ALDH1A1KMT2A
SCHEMBL735424 0.77 LTA4H (0.55) SMN1; SMN2HTTLTA4HALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 US disclosed
CN-107614501-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-01-14 CN disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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 (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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SMN1; SMN2 1801/4885HTT 2473/4885CYP2C19 521/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SMN1; SMN2 1801/4885HTT 2473/4885CYP2C19 521/4885

“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.