SCHEMBL2033650

SCHEMBL2033650

C=Cc1cncn1CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
ADORA2A P29274 3/20 0.34
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
TLR8 Q9NR97 2/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL2028966 0.89 ESR1 (0.33) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2028613 0.81
SCHEMBL8798869 0.76 CYP11B1 (0.42) ALDH1A1TLR8TBXAS1NPC1
SCHEMBL28101638 0.76 TBXAS1 (0.36) ALDH1A1TLR8TBXAS1
SCHEMBL11591891 0.76 ALDH1A1 (0.40) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL329374 0.73 ALDH1A1 (0.46) ALDH1A1KMT2APOLBLMNACYP2D6
SCHEMBL9497797 0.73 ADORA2B (0.33) ALDH1A1CYP1A2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL9443719 0.72 ADORA2B (0.32)
SCHEMBL21558238 0.72 ALDH1A1 (0.40) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL9648731 0.70 CNR1 (0.36) ALDH1A1KMT2AMEN1CYP3A4

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-8586018-B1 Thin films for controlled protein interaction UNIV FLORIDA STATE RES FOUND (US) 2013-11-19 US disclosed
US-20130284600-A1 THIN FILMS FOR CONTROLLED PROTEIN INTERACTION UNIV FLORIDA STATE RES FOUND (US) 2013-10-31 US disclosed
CN-102146269-B Adhesive composition, adhesive sheet and method for producing adhesive sheet NITTO DENKO CORP 2013-08-21 CN disclosed
US-8481017-B2 Thin films for controlled protein interaction FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-07-09 US disclosed
CN-102146269-A Adhesive composition, adhesive sheet and method for producing adhesive sheet NITTO DENKO CORP 2011-08-10 CN disclosed
US-20110159195-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION, PRESSURE-SENSITIVE ADHESIVE SHEET AND METHOD FOR PRODUCING PRESSURE-SENSITIVE ADHESIVE SHEET NITTO DENKO CORPORATION (JP) 2011-06-30 US disclosed
US-7722752-B2 Variable charge films for controlling microfluidic flow FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-05-25 US disclosed
US-20060065529-A1 Variable charge films for controlling microfluidic flow FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION INC. (US) 2006-03-30 US disclosed
US-20050282925-A1 Thin films for controlled protein interaction FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION INC. (US) 2005-12-22 US disclosed
EP-0402272-B1 Cell-culturing substrate, cell-culturing substrate unit bioreactor and extracorporeal circulation type therapeutic apparatus TERUMO CORP (JP) 1995-10-04 EP disclosed
EP-0402272-A2 Cell-culturing substrate, cell-culturing substrate unit bioreactor and extracorporeal circulation type therapeutic apparatus TERUMO KABUSHIKI KAISHA (JP) 1990-12-12 EP 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-20060065529-A1 Variable charge films for controlling microfluidic flow PARG, PARN, KCNN4 ALDH1A1 4791/4885KMT2A 939/4885POLB 2135/4885

“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.