SCHEMBL4115204

SCHEMBL4115204

CCOC(=O)COC1c2cc(C)c(C)cc2C(=O)N1c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX3 P56373 1/20 0.38
PTGS2 P35354 3/20 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
SCHEMBL4117459 0.88 NOTUM (0.37) ALDH1A1HPGDNPSR1KDM4ESMN1; SMN2
SCHEMBL4109186 0.81 GAA (0.41) ALDH1A1POLBKMT2AGAA
SCHEMBL4127465 0.76 MEN1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4110694 0.75 NOTUM (0.40) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4118353 0.75 NOTUM (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4117410 0.73 FAAH (0.41) ALDH1A1HPGDNPSR1SMN1; SMN2CYP2C9
SCHEMBL4118310 0.72 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1KDM4ESMN1; SMN2
SCHEMBL4117022 0.71 FAAH (0.39) ALDH1A1HPGDKDM4EPOLBCYP2C9
SCHEMBL27628691 0.69 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1KDM4ENPC1
SCHEMBL3745282 0.69 ATM (0.43) POLBCYP2C9CYP2C19KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 ALDH1A1 103/4885HPGD 530/4885NPSR1 1693/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALDH1A1 397/4885HPGD 636/4885NPSR1 522/4885

“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.