SCHEMBL7978264

SCHEMBL7978264

N#Cc1ccc(-c2ccc(OCCCl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.60
HRH3 Q9Y5N1 11/20 0.55
HRH2 P25021 10/20 0.55
HRH1 P35367 10/20 0.55
MMP3 P08254 5/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
MMP13 P45452 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7447851 0.94 ALDH1A1 (0.53) MMP2HRH3HRH2HRH1MMP3
SCHEMBL5624212 0.92 MMP2 (0.60) MMP2HRH3HRH2HRH1MMP3
SCHEMBL6709103 0.91 MMP3 (0.59) MMP2HRH3HRH2HRH1MMP3
SCHEMBL26602050 0.86 MMP3 (0.66) MMP2HRH3HRH2HRH1MMP3
SCHEMBL1714609 0.86 HRH3 (0.54) MMP2HRH3HRH2HRH1MMP3
SCHEMBL16841044 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL18079151 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL29444063 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL8748087 0.84 HRH3 (0.56) MMP2HRH3HRH2HRH1MMP3
SCHEMBL5096555 0.82 MMP2 (0.67) MMP2HRH3HRH2HRH1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190504-A1 Functionalized Polymers Using Protected Thiols CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-07-25 US disclosed
US-8283438-B2 Functionalized polymers using protected thiols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-8283438-B2 Functionalized polymers using protected thiols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-20110077407-A1 Functionalized Polymers Using Protected Thiols CALIFORNIA INSTITUTE OF TECHNOLOGY 2011-03-31 US disclosed
US-20110077407-A1 Functionalized Polymers Using Protected Thiols CALIFORNIA INSTITUTE OF TECHNOLOGY 2011-03-31 US disclosed
US-7847019-B2 Functionalized polymers using protected thiols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-12-07 US disclosed
US-7847019-B2 Functionalized polymers using protected thiols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-12-07 US disclosed
US-20090176941-A1 Functionalized Polymers Using Protected Thiols CALIFORNIA INSTITUTE OF TECHNOLOGY 2009-07-09 US disclosed
US-20090176941-A1 Functionalized Polymers Using Protected Thiols CALIFORNIA INSTITUTE OF TECHNOLOGY 2009-07-09 US disclosed
WO-2009052148-A1 FUNCTIONALIZED POLYMERS USING PROTECTED THIOLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-04-23 WO disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 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 (3 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-20110077407-A1 Functionalized Polymers Using Protected Thiols TST, GNE, MGMT MMP2 3475/4885HRH3 4789/4885HRH2 4821/4885
US-20130190504-A1 Functionalized Polymers Using Protected Thiols TST, GNE, MGMT MMP2 3475/4885HRH3 4789/4885HRH2 4821/4885
US-20090176941-A1 Functionalized Polymers Using Protected Thiols TST, GNE, MGMT MMP2 3475/4885HRH3 4789/4885HRH2 4821/4885

“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.