SCHEMBL20182665

SCHEMBL20182665

CC(C)c1cc(Cn2c(=O)c3c(ncn3CC3CCCCC3)n(C)c2=O)on1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
HIF1A Q16665 1/20 0.38
PARG Q86W56 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL18256084 0.95 TRPA1 (0.46) TRPA1KMT2AHTTLMNAPOLB
SCHEMBL20011193 0.90 TRPA1 (0.43) TRPA1KMT2AHTTLMNARXFP1
SCHEMBL20182456 0.84 TRPA1 (0.42) TRPA1KMT2AHTTLMNAPOLB
SCHEMBL18255775 0.81 ADORA2B (0.51) KMT2ALMNARXFP1POLBSMN1; SMN2
SCHEMBL20182693 0.81 TRPA1 (0.45) TRPA1HTTLMNAPOLBHIF1A
SCHEMBL18819085 0.81 TRPA1 (0.43) TRPA1KMT2AHTTRXFP1PARG
SCHEMBL18256053 0.78 TRPA1 (0.44) TRPA1KMT2AHTTLMNARXFP1
SCHEMBL20182571 0.77 TRPA1 (0.47) TRPA1KMT2ARXFP1POLBHIF1A
SCHEMBL18256106 0.76 TRPA1 (0.44) TRPA1KMT2AHTTLMNARXFP1
SCHEMBL18256065 0.75 KMT2A (0.64) KMT2ALMNAALDH1A1RXFP1SMN1; SMN2

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-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

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 TRPA1 2926/4885KMT2A 3576/4885HTT 2349/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A TRPA1 2926/4885KMT2A 3576/4885HTT 2349/4885

“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.