SCHEMBL976775

SCHEMBL976775

CC(=CC(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
PARP1 P09874 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DEGS1 O15121 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM1A O60341 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL16018391 1.00 TSHR (0.50) TSHRTDP1CYP2C19POLBCYP3A4
SCHEMBL11487699 0.88 SMN1; SMN2 (0.57) MAPTL3MBTL1SMN1; SMN2HPGD
SCHEMBL566350 0.82 DEGS1 (0.53) TSHRTDP1DEGS1CES2CES1
SCHEMBL566351 0.82 DEGS1 (0.53) TSHRTDP1DEGS1CES2CES1
SCHEMBL582234 0.82 NR4A2 (0.60) TSHRTDP1DEGS1CES2CES1
SCHEMBL1536443 0.82 NR4A2 (0.60) TSHRTDP1DEGS1CES2CES1
SCHEMBL691911 0.82 NR4A2 (0.60) TSHRTDP1DEGS1CES2CES1
SCHEMBL31421722 0.82 DEGS1 (0.53) TSHRTDP1DEGS1CES2CES1
Hydrochloric Acid SCHEMBL11760666 0.80 NR4A2 (0.58) TSHRTDP1DEGS1CES2CES1
Acetic Acid SCHEMBL6897120 0.80 NR4A2 (0.58) TSHRTDP1DEGS1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543148-A It is a kind of to replace Oxoindole-benzimidazole salt compound and preparation method thereof 云南大学 2017-03-29 CN claimed
CN-110007564-A A kind of positive-working lithographic printing plate precursor of multicoat sensitive for infrared radiation and the method for forming image 浙江康尔达新材料股份有限公司 2019-07-12 CN disclosed
CN-109799681-A A kind of positive-working lithographic printing plate precursor of Uv and visible light sensitivity and the method for forming image 浙江康尔达新材料股份有限公司 2019-05-24 CN disclosed
CN-106543148-B A kind of substitution Oxoindole-benzimidazole salt compound and preparation method thereof 云南大学 2019-04-16 CN disclosed
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP disclosed
US-8258340-B2 Method for producing β-mercapto carboxylic acids SHOWA DENKO K.K. (JP) 2012-09-04 US disclosed
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-20 US disclosed
EP-2268614-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS Showa Denko K.K. (JP) 2011-01-05 EP disclosed
WO-2009113711-A1 METHOD FOR PRODUCING -MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-09-17 WO 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-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS CBS, ALDH7A1, CBR1 TSHR 1871/4885TDP1 4707/4885CYP2C19 761/4885

“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.