SCHEMBL2017902

SCHEMBL2017902

CCCCCC1(c2ccc(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
CXCR2 P25025 1/20 0.42
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
BDKRB2 P30411 1/20 0.38
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL1962981 0.82 LPL (0.40) CA1CA2CA9LPLLIPG
SCHEMBL15205206 0.75 CA1 (0.66) CA1CA2CA9CXCR2LPL
SCHEMBL16011399 0.74 CA1 (0.51) CA1CA2CA9CXCR2LPL
SCHEMBL1962064 0.74 CA1 (0.51) CA1CA2CA9CXCR2LPL
SCHEMBL1531906 0.74 CA1 (0.51) CA1CA2CA9CXCR2LPL
SCHEMBL15481246 0.73 CA1 (0.70) CA1CA2CA9CXCR2KDM4E
SCHEMBL30711692 0.73 CNR2 (0.51) BDKRB2CNR1CNR2KMT2AMEN1
SCHEMBL28558552 0.72 CA1 (0.69) CA1CA2CA9CXCR2LPL
SCHEMBL257797 0.72 CA1 (0.68) CA1CA2CA9CXCR2LPL
SCHEMBL7607075 0.72 CNR1 (0.50) MAPTALDH1A1CNR1CNR2KMT2A

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
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX CA1 3489/4885CA2 3633/4885CA9 2069/4885

“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.