SCHEMBL7073841

SCHEMBL7073841

COc1cc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)cc1-c1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
PTGER1 P34995 7/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CSF1R P07333 1/20 0.36
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
AMY1A P0DUB6 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7077507 0.89 NOS3 (0.43) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL4286592 0.82 PTGER1 (0.41) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL6581790 0.80 MAOB (0.44) KDM4EMAPK1NPC1RAB9A
SCHEMBL7073094 0.76 MEN1 (0.45) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL5833356 0.74 NOS3 (0.43) MAPK1PTGER1NOS3NOS1CYP2C9
SCHEMBL424624 0.72 NOS1 (0.57) PTGER1NOS3NOS1CSF1R
Ammonia Solution, Strong SCHEMBL253374 0.72 NOS1 (0.44) PTGER1NOS3NOS1
SCHEMBL6588366 0.71 ESR1 (0.43) KDM4EALDH1A1TSHRNOS1HSD17B10
SCHEMBL8093800 0.71 NPC1 (0.45) NPC1RAB9A
SCHEMBL6620007 0.70 ACHE (0.42) KDM4EALDH1A1LMNATSHRNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US 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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 KDM4E 2152/4885ALDH1A1 899/4885LMNA 3347/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 KDM4E 4095/4885ALDH1A1 479/4885LMNA 1201/4885

“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.