SCHEMBL20185578

SCHEMBL20185578

CC(=O)OCC=C1CC(C)OC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27637713 0.84 ALDH1A1 (0.34) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL28754649 0.84 ALDH1A1 (0.34) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL27637712 0.84 ALDH1A1 (0.34) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL27618527 0.75 GAA (0.38) ALDH1A1TSHRALOX15HSD17B10
SCHEMBL4693468 0.72 ALDH1A1 (0.36) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL4690823 0.71 CHRM1 (0.34) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL4689856 0.71 ALDH1A1 (0.35) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL15802621 0.71 ALDH1A1 (0.35) ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL6616081 0.69 ESR2 (0.44) ALDH1A1HSD17B10
SCHEMBL28571854 0.69 PRKCA (0.32) NLRP3ALDH1A1ALOX15LMNAHSD17B10

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 NLRP3 305/4885ALDH1A1 380/4885TSHR 3261/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A NLRP3 305/4885ALDH1A1 380/4885TSHR 3261/4885

“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.