SCHEMBL5482090

SCHEMBL5482090

Cc1ccc2c(c1)C(CC(O)C(F)(F)F)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.44
ADRA2A P08913 1/20 0.41
HTR1A P08908 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSD17B2 P37059 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL5474827 0.90 HSD17B2 (0.41) KDM4CADRA2AHTR1AHSD17B2KDM6B
SCHEMBL5474357 0.85 KDM4C (0.36) KDM4CADRA2AHTR1ASLC6A2HTR2C
SCHEMBL5473990 0.84 HTR1A (0.49) HTR1AHTR2BSIGMAR1MTNR1AMTNR1B
SCHEMBL5173622 0.83 HTR1A (0.40) KDM4CHTR1AHTR2BSIGMAR1HSD17B2
SCHEMBL5172765 0.81 KCNH2 (0.38)
SCHEMBL5173919 0.76 KDM4C (0.48) KDM4CADRA2AHTR1ASLC6A2HTR2C
SCHEMBL5475323 0.76 HTR1A (0.49) KDM4CHTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL15818405 0.76 KDM4C (0.47) KDM4CADRA2AHTR1ASLC6A2HTR2C
SCHEMBL5477176 0.74 KDM4C (0.41) KDM4CADRA2AHTR1ASLC6A2HTR2C
SCHEMBL5173373 0.74 KDM4C (0.43) KDM4CADRA2AHTR1ASLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160305-A Substituted chroman derivatives, method for the production and the use thereof in the form of antiphlogistics SCHERING AG (DE) 2008-04-09 CN 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

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 KDM4C 3261/4885ADRA2A 1194/4885HTR1A 660/4885

“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.