SCHEMBL421970

SCHEMBL421970

CC(=O)OC(Cc1c[nH]c2ccccc12)C(C)N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1E P28566 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
HTR2B P41595 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.58
APAF1 O14727 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL27094892 0.85 KDM4E (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL420346 0.84 HTR2C (0.64) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL9217751 0.82 KDM4E (0.60) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL28564728 0.81 KDM4E (0.59) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL28564727 0.81 KDM4E (0.59) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL8999204 0.80 KDM4E (0.66) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL27835748 0.80 KDM4E (0.58) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL22607730 0.80 KDM4E (0.56) HTR2AADRB1HTR1AADRA2ASLC6A2
Acetic Acid SCHEMBL264322 0.80 HTR2A (0.82) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL10030545 0.78 KDM4E (0.76) HTR2AADRB1HTR1AADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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 (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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 HTR2A 2105/4885ADRB1 4340/4885HTR1A 2515/4885

“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.