SCHEMBL948099

SCHEMBL948099

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.41
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD11B1 P28845 3/20 0.35
HSD17B3 P37058 1/20 0.35
PSD A5PKW4 1/20 0.35
NR1I2 O75469 1/20 0.34
HSD17B2 P37059 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PRSS1 P07477 1/20 0.34
SSTR5 P35346 1/20 0.34
MAPK14 Q16539 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3433734 0.88 HTT (0.38) BCL2A1ALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL51756 0.87 KDM4E (0.43) BCL2A1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL948654 0.86 TUBB4A (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL950836 0.84 TUBB4A (0.43) ALDH1A1KDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL8007140 0.82 BCL2A1 (0.37) BCL2A1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL2858129 0.81 KDM4E (0.52) BCL2A1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL7608771 0.81 KDM4E (0.37) BCL2A1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL452774 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD11B1HSD17B3
SCHEMBL217706 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD11B1
SCHEMBL8131241 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD11B1

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
EP-2258951-B1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-08-22 EP disclosed
US-8771612-B2 Photoresponsive gas-generating material, micropump and microfluid device SEKISUI CHEMICAL CO., LTD. (JP) 2014-07-08 US disclosed
US-20140134075-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2014-05-15 US disclosed
US-20110014096-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2258951-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-08 EP disclosed
US-7335787-B2 Method for producing onium salt derivatives, and novel onium salt derivatives TOYO GOSEI KOGYO CO., LTD. (JP) 2008-02-26 US disclosed
US-20050176982-A1 Method for producing onium salt derivatives, and novel onium salt derivatives TOYO GOSEI KOGYO CO., LTD. (JP) 2005-08-11 US disclosed
US-6620957-B1 Process for producing onium salt derivative and novel onium salt derivative TOYO GOSEI KOGYO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1164127-A1 PROCESS FOR PRODUCING ONIUM SALT DERIVATIVE AND NOVEL ONIUM SALT DERIVATIVE Toyo Gosei Kogyo Co., Ltd. (JP) 2001-12-19 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 (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-20050176982-A1 Method for producing onium salt derivatives, and novel onium salt derivatives STS, NANS, GRIK5 BCL2A1 4873/4885ALDH1A1 2710/4885KDM4E 2869/4885

“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.