SCHEMBL2848013

SCHEMBL2848013

CCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
DRD2 P14416 1/20 0.52
MAPT P10636 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.47

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
SCHEMBL2850545 0.84 MEN1 (0.42) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL1975152 0.84 CA12 (0.65) KDM4ERAB9ADRD2CYP1A2CYP3A4
SCHEMBL336061 0.84 DRD2 (0.49) MEN1KMT2ASMN1; SMN2HPGDDRD2
SCHEMBL9433997 0.84 DRD2 (0.58) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL7220917 0.83 CTNNB1 (0.50) MEN1KMT2ADRD2MAPTCYP1A2
SCHEMBL1525956 0.83 MAPT (0.59) MEN1KMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL3837509 0.83 MAPK1 (0.56) MEN1KMT2ASMN1; SMN2DRD2MAPT
SCHEMBL4194168 0.83 DRD2 (0.48) MEN1KMT2ASMN1; SMN2DRD2MAPT
SCHEMBL27779118 0.82 DRD2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL29578705 0.82 MEN1 (0.73) MEN1KMT2AKDM4ESMN1; SMN2HPGD

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
US-9340478-B2 Cooling agent and TRPM8 activator KAO CORPORATION (JP) 2016-05-17 US disclosed
US-20140329910-A1 Cooling Agent and TRPM8 Activator KAO CORPORATION (JP) 2014-11-06 US disclosed
WO-2013080830-A1 COOLING AGENT AND TRPM8 ACTIVATOR 花王株式会社 (JP) 2013-06-06 WO disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (3 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A MEN1 2935/4885KMT2A 1528/4885KDM4E 1383/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A MEN1 2515/4885KMT2A 1733/4885KDM4E 811/4885
US-20140329910-A1 Cooling Agent and TRPM8 Activator TRPM8, TRPM7, TRPM6 MEN1 1329/4885KMT2A 1436/4885KDM4E 3064/4885

“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.