SCHEMBL16343663

SCHEMBL16343663

CC1(C)COc2cc(C(=O)CBr)ccc2-c2ccc(C(=O)CBr)cc2OC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ GSK3B P49841 8/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PTPN1 P18031 4/20 0.41
▸ HPGD P15428 1/20 0.39
▸ GNG2 P59768 1/20 0.39
▸ GNB1 P62873 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL15188490 0.85 PTPN1 (0.41) PTGS1PTGS2GSK3BATMPTPN1
SCHEMBL15188495 0.81 KDM4E (0.49) PTGS1PTGS2MEN1KMT2A
SCHEMBL15188478 0.80 ALDH1A1 (0.54) GSK3BATMPTPN1HPGDCTNNB1
SCHEMBL15188473 0.80 ALDH1A1 (0.50) GSK3BATMPTPN1HPGDCTNNB1
SCHEMBL15176562 0.80 MEN1 (0.40) PTGS1PTGS2ATMCYP2C9MEN1
SCHEMBL15188511 0.79 GSK3B (0.38) PTGS1PTGS2GSK3BHPGDCYP2C9
SCHEMBL881345 0.79 KDM4E (0.50) GSK3BATMHPGDCTNNB1WNT3A
SCHEMBL15188476 0.78 PTPN1 (0.49) GSK3BPTPN1
SCHEMBL12467535 0.72 ATM (0.43) ATMPTPN1HPGDCTNNB1WNT3A
SCHEMBL12467520 0.72 ATM (0.43) ATMPTPN1HPGDCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073943-B2 Antiviral compounds with a dibenzooxaheterocycle moiety LUPIN LIMITED (IN) 2015-07-07 — — US disclosed
US-9073943-B2 Antiviral compounds with a dibenzooxaheterocycle moiety LUPIN LIMITED (IN) 2015-07-07 — — US disclosed
US-9073943-B2 Antiviral compounds with a dibenzooxaheterocycle moiety LUPIN LIMITED (IN) 2015-07-07 — — US disclosed
US-20150010505-A1 Antiviral Compounds with a Dibenzooxaheterocycle Moiety LUPIN LIMITED (IN) 2015-01-08 — — US disclosed
US-20150010505-A1 Antiviral Compounds with a Dibenzooxaheterocycle Moiety LUPIN LIMITED (IN) 2015-01-08 — — US disclosed
US-20150010505-A1 Antiviral Compounds with a Dibenzooxaheterocycle Moiety LUPIN LIMITED (IN) 2015-01-08 — — 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 (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-20150010505-A1 Antiviral Compounds with a Dibenzooxaheterocycle Moiety DDX6, HAVCR2, DHX36 PTGS1 2489/4885PTGS2 2785/4885GSK3B 3530/4885

“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.

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