SCHEMBL636342

SCHEMBL636342

C/C=C1\CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.52
CYP11B2 P19099 7/20 0.52
CYP11B1 P15538 5/20 0.52
CES1 P23141 1/20 0.48
MAOB P27338 2/20 0.47
MIF P14174 5/20 0.46
PKM P14618 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFKB1 P19838 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL636343 1.00 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1CES1MAOB
SCHEMBL636341 1.00 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1CES1MAOB
SCHEMBL22368864 0.87 CYP19A1 (0.54) CYP19A1CYP11B2CYP11B1MAOBMIF
SCHEMBL6825997 0.87 CYP19A1 (0.54) CYP19A1CYP11B2CYP11B1MAOBMIF
SCHEMBL20227832 0.87 CYP19A1 (0.54) CYP19A1CYP11B2CYP11B1MAOBMIF
SCHEMBL21469218 0.84 MAOB (0.64) CYP19A1CYP11B2CES1MAOBMIF
SCHEMBL14183852 0.84 MAOB (0.64) CYP19A1CYP11B2CES1MAOBMIF
SCHEMBL8859036 0.79 CES1 (0.56) CYP19A1CYP11B2CYP11B1CES1MAOB
Dihydrophenanthrene SCHEMBL155991 0.74 CES1 (0.68) CYP19A1CYP11B2CYP11B1CES1MAOB
Dihydrophenanthrene SCHEMBL29404495 0.74 CES1 (0.68) CYP19A1CYP11B2CYP11B1CES1MAOB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100198-B2 Application of reduced dyes in imaging LI-COR, INC. (US) 2018-10-16 US disclosed
EP-2419478-B1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI COR INC (US) 2018-02-28 EP disclosed
EP-2630196-B1 CYANINE DYES AND THEIR CONJUGATES LI COR INC (US) 2017-09-06 EP disclosed
US-20170130050-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. (US) 2017-05-11 US disclosed
US-9470691-B2 Application of reduced dyes in imaging LI-COR, INC. (US) 2016-10-18 US disclosed
US-9408924-B2 Bioconjugates of cyanine dyes LI-COR, INC. (US) 2016-08-09 US disclosed
US-9248203-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2016-02-02 US disclosed
US-9089603-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2015-07-28 US disclosed
US-20150119553-A1 BIOCONJUGATES OF CYANINE DYES LI-COR, INC. 2015-04-30 US disclosed
US-8927719-B2 Cyanine dyes and their conjugates LI-COR, INC. (US) 2015-01-06 US disclosed
US-20140213473-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. 2014-07-31 US disclosed
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-20130274452-A1 CYANINE DYES AND THEIR CONJUGATES MIDCAP FINANCIAL TRUST 2013-10-17 US disclosed
US-8481752-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2013-07-09 US disclosed
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2013-02-14 US disclosed
EP-2419478-A2 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2012-02-22 EP disclosed
US-20100323389-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2010-12-23 US disclosed
WO-2010121163-A2 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2010-10-21 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 (6 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-20130274452-A1 CYANINE DYES AND THEIR CONJUGATES FCGR3B, QPCT, TIE1 CYP19A1 1693/4885CYP11B2 2388/4885CYP11B1 1959/4885
US-10100198-B2 Application of reduced dyes in imaging HMOX2, HCCS, HMOX1 CYP19A1 3058/4885CYP11B2 910/4885CYP11B1 763/4885
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 CYP19A1 2761/4885CYP11B2 3222/4885CYP11B1 2853/4885
US-20100323389-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES MSR1, TIE1, ALG1 CYP19A1 3052/4885CYP11B2 3248/4885CYP11B1 2877/4885
US-20150119553-A1 BIOCONJUGATES OF CYANINE DYES FCGR3B, FCGR2A, HCCS CYP19A1 1995/4885CYP11B2 1348/4885CYP11B1 2111/4885
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 CYP19A1 2761/4885CYP11B2 3222/4885CYP11B1 2853/4885

“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.