SCHEMBL14738797

SCHEMBL14738797

OC1CCC(C(I)C(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
TSHR P16473 1/20 0.30

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
SCHEMBL10170867 0.73 SHBG (0.46) SHBGTSHR
SCHEMBL13177782 0.73 SHBG (0.46) SHBGTSHR
SCHEMBL7761566 0.70 SHBG (0.44) SHBGTSHR
SCHEMBL19502509 0.67 SHBG (0.41) SHBGTSHR
SCHEMBL2493309 0.66 SHBG (0.50) SHBGTSHR
SCHEMBL3112779 0.64 SHBG (0.48) SHBGTSHR
SCHEMBL28182 0.63
SCHEMBL102859 0.63
SCHEMBL2700308 0.63 TSHR (0.64) SHBGTSHR
SCHEMBL3389566 0.63 TSHR (0.64) SHBGTSHR

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-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 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-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 SHBG 4144/4885TSHR 206/4885

“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.