Sugi Predict

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SCHEMBL4286592

SCHEMBL4286592

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 11/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37

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 0.90 NOS3 (0.43) PTGER1CSF1RKDM4EALDH1A1LMNA
SCHEMBL5778138 0.87 NOS1 (0.47) PTGER1CSF1RKDM4EALDH1A1LMNA
SCHEMBL424624 0.83 NOS1 (0.57) PTGER1CSF1R
SCHEMBL6581790 0.83 MAOB (0.44) KDM4EMAPK1MAOBNPC1RAB9A
Ammonia Solution, Strong SCHEMBL253374 0.83 NOS1 (0.44) PTGER1
SCHEMBL7073841 0.82 KDM4E (0.37) PTGER1CSF1RKDM4EALDH1A1LMNA
SCHEMBL5833356 0.79 NOS3 (0.43) PTGER1MAPK1CYP2C9
SCHEMBL6588366 0.77 ESR1 (0.43) KDM4EALDH1A1TSHRMAOBRAB9A
SCHEMBL253373 0.77 NOS1 (0.42) PTGER1
SCHEMBL5775067 0.77 NOS1 (0.45) KDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 — — US claimed
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 — — WO disclosed
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 (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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 PTGER1 532/4885CSF1R 2596/4885KDM4E 1582/4885
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 PTGER1 14/4885CSF1R 1681/4885KDM4E 2152/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 PTGER1 396/4885CSF1R 4072/4885KDM4E 4095/4885

“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.