SCHEMBL1856589

SCHEMBL1856589

O=c1[nH]c2ccc(OCCF)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
PSMB8 P28062 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GRIA1 P42261 3/20 0.41
PGR P06401 1/20 0.40
CMA1 P23946 1/20 0.39
SNCA P37840 1/20 0.39
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FKBP5 Q13451 2/20 0.37
CACNG8 Q8WXS5 1/20 0.37

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
SCHEMBL11213147 0.81 PDE3B (0.68) PDE3BPDE3APSMB8CA12CA1
SCHEMBL1848088 0.75 PDE3B (1.00) PDE3BPDE3APSMB8PGRCMA1
SCHEMBL11104196 0.71 PDE3B (0.63) PDE3BPDE3APGRCMA1MAPT
SCHEMBL21681297 0.71 PDE3B (0.54) PDE3BPDE3ACA12CA1CA9
SCHEMBL1324801 0.70 HTR1A (0.49) PDE3BPDE3APGRCMA1KIF11
SCHEMBL6190639 0.69 POLB (0.56) PDE3BPDE3AGRIA1PGRCMA1
SCHEMBL10458381 0.67 CA12 (0.59) CA12CA1CA9MAPT
SCHEMBL9180907 0.67 ALDH1A1 (0.53) CA12CA1CA9POLBMAPT
SCHEMBL9685728 0.67 PDE3B (0.69) PDE3BPDE3APSMB8MAPT
SCHEMBL9685722 0.67 PDE3B (0.76) PDE3BPDE3APSMB8GRIA1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB PDE3B 370/4885PDE3A 287/4885PSMB8 4378/4885

“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.