SCHEMBL6831501

SCHEMBL6831501

C=C(C)C(=O)OC1CC2CC1C1C(=O)OC3(CCCC3)C21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GPX4 P36969 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6834284 0.92 ALDH1A1 (0.35) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL18022224 0.78 GPX4 (0.32) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL13559239 0.77 GPX4 (0.31) GPX4KDM4ENPC1POLBMAPT
SCHEMBL16737003 0.76 GPX4 (0.34) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL6834114 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL304319 0.74 GPX4 (0.33) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL3809880 0.73 GPX4 (0.33) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL75010 0.72 GPX4 (0.34) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL18400928 0.72 GPX4 (0.34) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL3803250 0.71 GPX4 (0.33) ALDH1A1GPX4KDM4ENPC1POLB

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-6746818-B2 (METH)ACRYLATE COMPOUNDS HAVING A NORBORNANE, BICYCLO(2.2.2) OCTANE, 7-OXANORBORNANE OR CYCLOHEXANE RING STRUCTURE AND A GAMMA-BUTYROLACTONE RING STRUCTURE CONNECTED TOGETHER BY A LINKER, USEFUL IN FORMING POLYMER WITH HIGH TRANSPARENCY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20030008232-A1 Novel (meth) acrylates having lactone structure, polymers, photoresist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-01-09 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 (1 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-20030008232-A1 Novel (meth) acrylates having lactone structure, polymers, photoresist compositions and patterning process MMAB, MBTD1, STK17A ALDH1A1 1130/4885GPX4 4663/4885KDM4E 1396/4885

“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.