SCHEMBL20185608

SCHEMBL20185608

CCOC(=O)CCCCC1(C)COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
EPHX2 P34913 5/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
DGKA P23743 1/20 0.38
CYP4F2 P78329 1/20 0.38

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
SCHEMBL18256664 0.88 TSHR (0.44) CYP1A2RAB9AL3MBTL1TSHRLMNA
SCHEMBL15231719 0.77 L3MBTL1 (0.44) CYP1A2RAB9AL3MBTL1TSHRLMNA
SCHEMBL5372816 0.77 PRKCA (0.50) TSHRLMNADGKA
SCHEMBL5369426 0.75 DGKA (0.53) TSHRLMNADGKA
SCHEMBL5372668 0.75 DGKA (0.53) TSHRLMNADGKA
SCHEMBL50610 0.75 CYP1A2 (0.73) CYP1A2RAB9AL3MBTL1TSHRALDH1A1
SCHEMBL8570508 0.75 CYP1A2 (0.73) CYP1A2RAB9AL3MBTL1TSHRALDH1A1
SCHEMBL850112 0.75 TSHR (0.46) TSHRLMNAALDH1A1ALOX15TDP1
SCHEMBL10071396 0.75 PRKCA (0.45) TSHRLMNATDP1CYP3A4DGKA
SCHEMBL14157084 0.74 CYP1A2 (0.51) CYP1A2RAB9AL3MBTL1TSHRLMNA

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 2 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
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 CYP1A2 99/4885RAB9A 3026/4885L3MBTL1 4826/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A CYP1A2 99/4885RAB9A 3026/4885L3MBTL1 4826/4885

“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.