SCHEMBL5646459

SCHEMBL5646459

Cc1cc2c(cc1Cl)C=CCO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
P2RX7 Q99572 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CD44 P16070 1/20 0.33
CYP2B6 P20813 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8404584 0.84 STS (0.40) STSP2RX7CYP1A2CYP1B1CYP2B6
SCHEMBL12316776 0.78 STS (0.40) STSCYP2B6CA1CA9
SCHEMBL22915707 0.75 STS (0.44) STSCYP1A2CYP1B1CYP2B6CA1
SCHEMBL12316628 0.74 KDM4E (0.36) STSP2RX7CYP1A2MEN1ALDH1A1
SCHEMBL22792833 0.71 STS (0.35) STSCYP1A2CYP1B1CYP2B6
SCHEMBL3199320 0.69 AHR (0.45) STSCYP1A2CYP1B1CYP2B6MEN1
SCHEMBL3132576 0.69 CYP2B6 (0.42) STSCYP1A2CYP1B1CYP2B6ALDH1A1
SCHEMBL27658669 0.69 STS (0.49) STSCYP1A2CYP2B6CA1CA9
SCHEMBL6917419 0.69 STS (0.49) STSCYP1A2CYP1B1CYP2B6ALDH1A1
SCHEMBL12316640 0.68 CSNK2A1 (0.40) STS

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-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 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 (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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 STS 999/4885P2RX7 203/4885CYP1A2 48/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES STS 737/4885P2RX7 260/4885CYP1A2 30/4885

“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.