SCHEMBL2015239

SCHEMBL2015239

CCCCCC1CCC(c2ccc(-c3ccc(NC(=O)c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CYP2C9 P11712 1/20 0.40
CXCR2 P25025 1/20 0.40
DEGS1 O15121 1/20 0.40
KDM1A O60341 2/20 0.39
DGAT1 O75907 2/20 0.38
HIF1A Q16665 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37

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
SCHEMBL1958394 1.00 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1960036 1.00 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL2015238 1.00 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1962064 0.97 CA1 (0.51) CA1CA2CA9ALDH1A1LMNA
SCHEMBL16011399 0.97 CA1 (0.51) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1531906 0.97 CA1 (0.51) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1961256 0.88 ALDH1A1 (0.42) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1961254 0.88 ALDH1A1 (0.42) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1961233 0.87 ALDH1A1 (0.42) CA1CA2CA9ALDH1A1LMNA
SCHEMBL22820280 0.86 LPL (0.49) ALDH1A1LMNAMAPTCYP2C9HIF1A

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.