SCHEMBL5472249

SCHEMBL5472249

C=CC(O)(CC1CCOc2cc(OC)ccc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
KDM4C Q9H3R0 5/20 0.36
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM6B O15054 1/20 0.34
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ENPP2 Q13822 1/20 0.33
ABCB1 P08183 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5471598 0.91 HTR1A (0.45) HTR1ACYP3A4NQO2MTNR1AMTNR1B
SCHEMBL5475424 0.89 HTR1A (0.48) HTR1AKDM4CUSP2CYP3A4KDM6B
SCHEMBL5477197 0.85 HSD17B2 (0.38) KDM4CKDM6B
SCHEMBL5476386 0.80 HTR1A (0.48) HTR1ACYP3A4NQO2MTNR1AMTNR1B
SCHEMBL5175490 0.80 KCNH2 (0.33) KDM4C
SCHEMBL5477176 0.79 KDM4C (0.41) HTR1AKDM4CMTNR1AMTNR1BMAPT
SCHEMBL5471017 0.77 KDM4C (0.33) KDM4CDRD2DRD3
SCHEMBL5475323 0.76 HTR1A (0.49) HTR1AKDM4CUSP2CYP3A4KDM6B
SCHEMBL5174847 0.74 HTR1A (0.38) HTR1AKDM4CKDM6BMAPT
SCHEMBL5474849 0.74 HTR1A (0.38) HTR1AKDM4CKDM6BMAPT

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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO HTR1A 660/4885KDM4C 3261/4885USP2 3809/4885

“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.