SCHEMBL3988360

SCHEMBL3988360

CC(=O)C1CC(c2ccccc2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
MCL1 Q07820 1/20 0.45
SRD5A1 P18405 1/20 0.44
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
SLC18A3 Q16572 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL7272419 0.84 PDE3B (0.44) MCL1MAPTLMNA
SCHEMBL10534260 0.83 CYP11B2 (0.45) KDM4ENPSR1MEN1KMT2AMAPT
SCHEMBL6229686 0.80 TSHR (0.50) AKR1C3AKR1C1KDM4EMEN1KMT2A
SCHEMBL7266417 0.78 DDB1 (0.40) MCL1KDM4EKMT2AMAPTLMNA
SCHEMBL18366148 0.78 TP53 (0.41) AKR1C3AKR1C1KDM4EMEN1KMT2A
SCHEMBL22048166 0.77 SLC18A3 (0.45) AKR1C3AKR1C1SRD5A1KDM4ESMN1; SMN2
SCHEMBL18585014 0.76 SRD5A1 (0.49) AKR1C3AKR1C1SRD5A1SMN1; SMN2SLC18A3
SCHEMBL13039616 0.75 SRD5A1 (0.47) AKR1C3AKR1C1SRD5A1SLC18A3GAA
SCHEMBL8920951 0.74 SRD5A1 (0.46) AKR1C3AKR1C1SRD5A1SLC18A3GAA
SCHEMBL6551213 0.73 SRD5A1 (0.46) AKR1C3AKR1C1SRD5A1SLC18A3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US disclosed
EP-1663993-B1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-12 EP disclosed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US disclosed
US-4845228-A INTERMEDIATES FOR CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-07-04 US disclosed
US-4824952-A CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-25 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 (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-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR AKR1C3 2529/4885AKR1C1 1647/4885MCL1 4439/4885

“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.