SCHEMBL1812486

SCHEMBL1812486

C#CC(O)(c1ccccc1)c1ccc(OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
LTA4H P09960 2/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
POLB P06746 1/20 0.46
NQO1 P15559 1/20 0.45
RELA Q04206 1/20 0.45
NPY2R P49146 2/20 0.42
ACSS2 Q9NR19 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL15449587 0.93 NQO1 (0.52) KIF11LTA4HPOLBNQO1NPC1
SCHEMBL28365758 0.88 LTA4H (0.51) LTA4HKMT2AMEN1POLBSMN1; SMN2
SCHEMBL9933229 0.88 LTA4H (0.51) LTA4HKMT2AMEN1POLBSMN1; SMN2
SCHEMBL22944635 0.87 LTA4H (0.56) LTA4HPOLBNQO1ALDH1A1
SCHEMBL22113474 0.87 ALDH1A1 (0.47) LTA4HNQO1SMN1; SMN2NPC1RAB9A
SCHEMBL15947095 0.86 ACACB (0.44) LTA4HKMT2AMEN1POLBNQO1
SCHEMBL719359 0.83 ALDH1A1 (0.55) LTA4HKMT2AMEN1POLBACSS2
SCHEMBL11579492 0.82 CYP2D6 (0.55) LTA4HKMT2AMEN1POLBMAPT
SCHEMBL1011203 0.81 KIF11 (0.45) KIF11LTA4HKMT2AMEN1SMN1; SMN2
SCHEMBL6566848 0.81 LTA4H (0.57) KIF11LTA4HKMT2AMEN1POLB

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-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 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 (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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 KIF11 431/4885LTA4H 1861/4885KMT2A 1139/4885

“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.