SCHEMBL16644656

SCHEMBL16644656

CCCCOCCn1ccc(C(=O)O)c(OCCCC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.42
RARA P10276 2/20 0.42
CNR2 P34972 3/20 0.39
CNOT7 Q9UIV1 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
RECQL P46063 1/20 0.36
PLA2G4B P0C869 2/20 0.36
PTPN11 Q06124 1/20 0.36
RARG P13631 1/20 0.35

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
SCHEMBL16644652 0.86 TSHR (0.40) TSHRTP53RECQL
SCHEMBL13367288 0.82 CNR2 (0.43) RARBRARACNR2TSHRTP53
SCHEMBL15959660 0.81 NOTUM (0.53) TSHRRECQL
SCHEMBL16644651 0.78 MAPT (0.46) CNR2CNOT7TP53
SCHEMBL19646277 0.76 HTT (0.42)
SCHEMBL12697313 0.74 TSHR (0.51) RARBRARACNR2TSHRTP53
SCHEMBL14846707 0.74 NOTUM (0.39) TSHRTP53
SCHEMBL17980842 0.71 TSHR (0.53) TSHRTP53RECQLPLA2G4BPTPN11
SCHEMBL15613744 0.70 THRA (0.38) CNR2TSHRTP53
SCHEMBL15613740 0.69 TSHR (0.53) TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827336-B2 Radio-pharmaceutical complexes BAYER AS (NO) 2017-11-28 US disclosed
US-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-05-28 US disclosed
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-04-23 US disclosed
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES ALGETA ASA (NO) 2015-04-16 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 (3 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-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES HCAR3, TYRO3, HCAR1 RARB 1250/4885RARA 1263/4885CNR2 1684/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 RARB 494/4885RARA 530/4885CNR2 830/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 RARB 756/4885RARA 856/4885CNR2 2292/4885

“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.