SCHEMBL8400366

SCHEMBL8400366

CCC(=O)OCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.50
CDYL Q9Y232 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PARP10 Q53GL7 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CYP1A2 P05177 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL20010311 0.86 KDM4E (0.50) EPHX1TDP1KDM4EALDH1A1HPGD
SCHEMBL24204874 0.84 KDM4E (0.49) EPHX1KDM4EALDH1A1HPGDNPSR1
SCHEMBL17938470 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL23932603 0.83 MEN1 (0.52) EPHX1TDP1ALDH1A1ATMCDYL
Butane SCHEMBL7325128 0.83 TDP1 (0.51) EPHX1TDP1KDM4EALDH1A1HPGD
SCHEMBL487420 0.83 KMT2A (0.55) EPHX1TDP1KDM4EALDH1A1HSD17B10
SCHEMBL31453773 0.83 CDYL (0.50) EPHX1TDP1KDM4EATMCDYL
SCHEMBL21372579 0.82 TDP1 (0.56) EPHX1TDP1ATMCDYLKMT2A
SCHEMBL28702056 0.82 TDP1 (0.56) EPHX1TDP1ATMKMT2AMEN1
SCHEMBL6677814 0.82 CDYL (0.63) EPHX1TDP1KDM4EATMCDYL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591182-A Method for recovering phenyltrimethylammonium tribromide from phenyltrimethylammonium tribromide centrifugal mother liquor 江苏八巨药业有限公司 2022-06-07 CN disclosed
CN-113563194-A Method for synthesizing D, L-naproxen ester and for preparing naproxen by resolution 泮珍 2021-10-29 CN disclosed
CN-213160168-U Device for treating waste gas of production workshop of acryloylnaphthyl methyl ether 江苏八巨药业有限公司 2021-05-11 CN disclosed
US-9760003-B2 Pattern forming method and actinic-ray- or radiation-sensitive resin composition FUJIFILM CORPORATION (JP) 2017-09-12 US disclosed
US-9557643-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, manufacturing method of electronic device using the same and electronic device FUJIFILM CORPORATION (JP) 2017-01-31 US disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP EPHX1 1258/4885TDP1 4359/4885KDM4E 1023/4885

“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.