SCHEMBL1772607

SCHEMBL1772607

COC(=O)C1C(O)c2ccccc2OC1(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 2/20 0.34
ABCC9 O60706 1/20 0.34
EIF4A1 P60842 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR2 P41597 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ABCB1 P08183 1/20 0.32
HTT P42858 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1772758 0.76 CYP3A4 (0.44) CYP3A4CYP2C19MEN1ALOX15KMT2A
SCHEMBL1771745 0.69 SLC6A4 (0.45) SLC6A4SLC6A3
SCHEMBL1772772 0.67 TACR3 (0.33) CYP3A4CYP2C19ALOX15CYP2C9CCR2
SCHEMBL1781064 0.65 SLC6A3 (0.46) CCR2SLC6A4SLC6A3
SCHEMBL19839249 0.64 ABCB1 (0.43) CYP3A4CYP2C19MEN1CYP2D6ALOX15
SCHEMBL1772419 0.64 MAPT (0.38) CYP3A4CYP2C19MEN1CYP2D6KMT2A
SCHEMBL23933305 0.62 SLC6A3 (0.47) SLC6A4SLC6A3
SCHEMBL30138625 0.62 SLC6A3 (0.47) SLC6A4SLC6A3
SCHEMBL23961568 0.62 SLC6A3 (0.47) SLC6A4SLC6A3
SCHEMBL3984092 0.60 ADAM17 (0.53) CCR2SLC6A4SLC6A3

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
EP-2326634-B1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-11-05 EP disclosed
US-20140235672-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-08-21 US disclosed
US-8759390-B2 Chromene modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-24 US disclosed
EP-2326634-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
US-20110112146-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-12 US disclosed
WO-2010009069-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 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-20140235672-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR3, CCR2 CYP3A4 759/4885CYP2C19 612/4885MEN1 3570/4885
US-20110112146-A1 CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR3, CCR2 CYP3A4 913/4885CYP2C19 677/4885MEN1 3767/4885

“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.