SCHEMBL420346

SCHEMBL420346

CC(=O)OC(Cc1c[nH]c2ccc(O)cc12)C(C)N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.64
HTR2A P28223 7/20 0.64
HTR1A P08908 6/20 0.64
HTR2B P41595 5/20 0.64
CYP2D6 P10635 4/20 0.64
NFKB1 P19838 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C9 P11712 3/20 0.64
HTR1D P28221 2/20 0.64
HTR1B P28222 2/20 0.64
CYP2C19 P33261 1/20 0.64
NPSR1 Q6W5P4 6/20 0.61
BLM P54132 3/20 0.61
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.60
CYP3A4 P08684 3/20 0.60
TSHR P16473 3/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
PMP22 Q01453 2/20 0.60

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
SCHEMBL421970 0.84 HTR2A (0.59) HTR2CHTR2AHTR1AHTR2BHTR1D
SCHEMBL16596124 0.80 HTR2C (0.78) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL13176550 0.80 HTR2C (0.78) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL29389055 0.79 HTR2C (1.00) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL396996 0.79 HTR2C (1.00) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL24451374 0.79 HTR2A (0.77) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL17640312 0.79 HTR2A (0.77) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL471920 0.77 NPSR1 (0.72) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL6775810 0.77 NPSR1 (0.72) HTR2CHTR2AHTR1AHTR2BCYP2D6
SCHEMBL19357216 0.76 HTR2C (0.76) HTR2CHTR2AHTR1AHTR2BCYP2D6

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 HTR2C 1943/4885HTR2A 2105/4885HTR1A 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.