SCHEMBL16644652

SCHEMBL16644652

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
GLA P06280 4/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TNF P01375 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL16644656 0.86 RARB (0.42) TSHRRECQLTP53
SCHEMBL19646278 0.80 ALDH1A1 (0.43) TSHRTDP1L3MBTL1LMNAPOLB
SCHEMBL15613740 0.77 TSHR (0.53) TSHRTDP1L3MBTL1LMNAPOLB
SCHEMBL16748374 0.77 BAZ2B (0.41) TSHRTDP1L3MBTL1LMNAPOLB
SCHEMBL16644651 0.75 MAPT (0.46) LMNAALDH1A1HPGDHSD17B10NPC1
SCHEMBL755377 0.72 KDM4E (0.40) TSHRL3MBTL1LMNAKDM4EALDH1A1
SCHEMBL27562479 0.71 TSHR (0.47) TSHRTDP1L3MBTL1LMNAKDM4E
SCHEMBL15954354 0.71 MAPT (0.40) TSHRL3MBTL1LMNAKDM4EALDH1A1
SCHEMBL16640636 0.71 TSHR (0.43) TSHRTDP1L3MBTL1LMNAPOLB
SCHEMBL31228728 0.70 TSHR (0.49) TSHRTDP1L3MBTL1LMNAKDM4E

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 TSHR 55/4885TDP1 981/4885L3MBTL1 4650/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 TSHR 13/4885TDP1 940/4885L3MBTL1 3670/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 TSHR 64/4885TDP1 308/4885L3MBTL1 3169/4885

“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.