SCHEMBL1961185

SCHEMBL1961185

C=CC(O)CC(O)CC(=O)O.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
BLM P54132 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32

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
SCHEMBL356625 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL15627215 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL6477452 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL4541049 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL15627217 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL15627216 0.98 SLC22A6 (0.52) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL9730926 0.96 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL30645407 0.96 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSLC6A2
SCHEMBL22472213 0.82 SLC22A6 (0.38) SLC22A6GABRR1LMNAMAPTCYP2D6
SCHEMBL22472215 0.82 SLC22A6 (0.38) SLC22A6GABRR1LMNAMAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230817-B The preparation method of 3,5-dihydroxy heptyl-6-gadoleic acid derivatives 南京欧信医药技术有限公司 2016-09-14 CN disclosed
US-8497370-B2 Processes for preparing amine salts of sildenafil-analogues and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-07-30 US disclosed
US-8470805-B2 Processes for preparing piperazinium salts of KMUP and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-06-25 US disclosed
US-20120108604-A1 PROCESSES FOR PREPARING AMINE SALTS OF SILDENAFIL-ANALOGUES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-05-03 US disclosed
US-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-06-09 US disclosed
EP-1539711-A1 PROCESS FOR PREPARING THE CALCIUM SALT OF ROSUVASTATIN AstraZeneca UK Limited (GB) 2005-06-15 EP disclosed
WO-2004014872-A1 PROCESS FOR PREPARING THE CALCIUM SALT OF ROSUVASTATIN ASTRAZENECA UK LIMITED (GB) 2004-02-19 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 (2 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-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF U2SURP, RRP15, KYNU SLC22A6 2097/4885GABRR1 267/4885LMNA 2741/4885
US-20120108604-A1 PROCESSES FOR PREPARING AMINE SALTS OF SILDENAFIL-ANALOGUES AND USE THEREOF PDE3A, PDE5A, PDE3B SLC22A6 2189/4885GABRR1 935/4885LMNA 1255/4885

“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.