SCHEMBL548166

SCHEMBL548166

O=CC(C=O)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNN4 O15554 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL547626 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMAPTKMT2ANPSR1
SCHEMBL30102520 0.80 CES1 (0.48) CYP1A2ALDH1A1TSHRMAPTMAPK1
SCHEMBL27985150 0.79 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL28901733 0.76 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL31441086 0.76 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL27488534 0.76 ALDH1A1 (0.35) CYP1A2ALDH1A1TSHRCYP2C9MAPT
SCHEMBL15376730 0.74 CYP2C9 (0.47) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL7587301 0.73 MAPT (0.47) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL4770840 0.73 CYP1A2 (0.47) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6
SCHEMBL27770317 0.73 CYP1A2 (0.45) CYP1A2ALDH1A1TSHRCYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP claimed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP 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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS CYP1A2 2962/4885ALDH1A1 4594/4885TSHR 3414/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 CYP1A2 2215/4885ALDH1A1 1078/4885TSHR 3709/4885

“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.