SCHEMBL469040

SCHEMBL469040

CC(=O)NCc1ccc(C2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
RAB9A P51151 5/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
RORC P51449 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
HAO1 Q9UJM8 1/20 0.45
NPC1 O15118 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL10188221 0.86 HTR2C (0.51) HTR2CHTR2BKMT2AHDAC1HDAC6
SCHEMBL12133623 0.80 KMT2A (0.76) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL22291721 0.80 HTR2C (0.58) HTR2CHTR2BHDAC1HDAC6RAB9A
SCHEMBL22291719 0.80 HTR2C (0.58) HTR2CHTR2BHDAC1HDAC6RAB9A
SCHEMBL25194526 0.79 KMT2A (0.42) HTR2CHTR2BKMT2AHDAC1HDAC6
SCHEMBL12072841 0.78 HTR2C (0.53) HTR2CHTR2BRAB9ASMN1; SMN2HPGD
SCHEMBL13385236 0.78 CA1 (0.53) HTR2CHTR2BHDAC1HDAC6RAB9A
SCHEMBL469033 0.77 NCF1 (0.47) HTR2CHTR2BHDAC1HDAC6RAB9A
SCHEMBL22901541 0.75 ERCC1 (0.54) HTR2CHTR2BKMT2AMAPT
SCHEMBL16373452 0.75 KMT2A (0.51) HTR2CHTR2BKMT2AHDAC1HDAC6

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
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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 (2 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HTR2C 4679/4885HTR2B 4657/4885KMT2A 409/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HTR2C 4497/4885HTR2B 4389/4885KMT2A 535/4885

“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.