SCHEMBL5047571

SCHEMBL5047571

CCCCC(CC)C(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
HTT P42858 2/20 0.57
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CTSK P43235 1/20 0.53
HDAC3 O15379 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45

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
SCHEMBL19185882 0.89 HDAC1 (0.52) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL20306087 0.88 HDAC1 (0.54) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL22371932 0.86 CTSK (0.49) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL5050004 0.83 TSHR (0.51) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL5179085 0.81 TSHR (0.53) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL3960975 0.77 TSHR (0.60) TSHRHTTGLAL3MBTL1CYP2D6
Iodide SCHEMBL8700229 0.77 TSHR (0.49) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL4324864 0.77 HDAC1 (0.52) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL3197028 0.76 TSHR (0.58) TSHRHTTGLAL3MBTL1CYP2D6
SCHEMBL28213972 0.76 TSHR (0.65) TSHRHTTGLAL3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107903242-A A kind of 2 bromines 5(2 ethylhexyls)The preparation method of thiophene 商丘师范学院 2018-04-13 CN disclosed
EP-2456810-B1 CONJUGATED POLYMERS WITH CARBONYL SUBSTITUTED THIENO [3,4-B]THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY INC (US) 2016-08-17 EP disclosed
US-20130123449-A1 CONJUGATED POLYMERS WITH CARBONYL-SUBSTITUTED THIENO [3,4-B] THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY, INC. (US) 2013-05-16 US disclosed
US-20130123449-A1 CONJUGATED POLYMERS WITH CARBONYL-SUBSTITUTED THIENO [3,4-B] THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY, INC. (US) 2013-05-16 US disclosed
US-8372945-B2 Conjugated polymers with carbonyl substituted thieno[3,4-B]thiophene units for polymer solar cell active layer materials SOLARMER ENERGY, INC. (US) 2013-02-12 US disclosed
US-8372945-B2 Conjugated polymers with carbonyl substituted thieno[3,4-B]thiophene units for polymer solar cell active layer materials SOLARMER ENERGY, INC. (US) 2013-02-12 US disclosed
US-20110017956-A1 CONJUGATED POLYMERS WITH CARBONYL SUBSTITUTED THIENO[3,4-B]THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY, INC. (US) 2011-01-27 US disclosed
US-20110017956-A1 CONJUGATED POLYMERS WITH CARBONYL SUBSTITUTED THIENO[3,4-B]THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY, INC. (US) 2011-01-27 US disclosed
WO-2011011545-A1 CONJUGATED POLYMERS WITH CARBONYL SUBSTITUTED THIENO [3,4-B] THIOPHENE UNITS FOR POLYMER SOLAR CELL ACTIVE LAYER MATERIALS SOLARMER ENERGY, INC. (US) 2011-01-27 WO disclosed
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
CN-1571787-A Quinuclidine derivatives processes for preparing them and their uses as M2 and/or M3 muscarinic receptor inhibitors UCB SA (BE) 2005-01-26 CN 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 TSHR 286/4885HTT 4288/4885GLA 2787/4885

“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.