SCHEMBL5175120

SCHEMBL5175120

COc1ccc2c(c1)OCCC2CCO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
KCNH2 Q12809 2/20 0.39
GLA P06280 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NQO2 P16083 1/20 0.38

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
SCHEMBL5479142 0.89 HTR1A (0.54) HTR1AKCNH2GLAENPP2MTNR1A
SCHEMBL8103275 0.83 HTR1A (0.56) HTR1AUSP2CYP3A4KDM4CENPP2
SCHEMBL5173384 0.82 HTR1A (0.48) HTR1AENPP2MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL8112970 0.82 HTR1A (0.55) HTR1AUSP2CYP3A4KDM4CENPP2
SCHEMBL5223865 0.81 MTNR1A (0.63) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5175307 0.81 KDM4C (0.40) HTR1AKDM4CMTNR1AMTNR1B
SCHEMBL9464927 0.81 HTR1A (0.63) HTR1AUSP2CYP3A4KDM4CENPP2
SCHEMBL5229128 0.80 HTR1A (0.53) HTR1AUSP2CYP3A4KDM4CENPP2
SCHEMBL5172931 0.80 HTR1A (0.56) HTR1AUSP2CYP3A4KDM4CENPP2
SCHEMBL9464770 0.78 HTR1A (0.67) HTR1AUSP2CYP3A4KDM4CENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 WO 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 660/4885USP2 3809/4885CYP3A4 69/4885

“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.