SCHEMBL2008247

SCHEMBL2008247

COC(=O)c1ccc(C(C)(C)C)cc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 3/20 0.48
EGFR P00533 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
UGCG Q16739 2/20 0.42
POLB P06746 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
Bicarbonate SCHEMBL5487332 0.95 CFTR (0.46) CFTRCYP1A2CYP2C9ALDH1A1EGFR
SCHEMBL2008596 0.86 RAB9A (0.44) CYP1A2CYP2C9ALDH1A1KDM4EMRGPRX4
SCHEMBL1547094 0.84 TDP1 (0.59) CFTRCYP1A2CYP2C9ALDH1A1EGFR
SCHEMBL2006511 0.83 EGFR (0.46) CFTRALDH1A1EGFRKDM4ETDP1
SCHEMBL25247535 0.83 FFAR4 (0.56) CFTRCYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL20505135 0.82 CYP1A2 (0.50) CFTRCYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL12244969 0.81 MAPT (0.56) CFTRALDH1A1EGFRKDM4ENR1H4
SCHEMBL3784216 0.78 KDM4E (0.46) CFTRCYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL3152664 0.78 EGFR (0.40) CFTRALDH1A1EGFRKDM4ETDP1
SCHEMBL17708165 0.78 CFTR (0.56) CFTRALDH1A1EGFRKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO 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-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 CFTR 2244/4885CYP1A2 3207/4885CYP2C9 2683/4885

“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.