SCHEMBL3859583

SCHEMBL3859583

O=C1OCCC2CCCCC12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL24603326 1.00 ALDH1A1 (0.30) ALDH1A1NOS3NOS1NOS2MAPT
SCHEMBL3859581 1.00 ALDH1A1 (0.30) ALDH1A1NOS3NOS1NOS2MAPT
SCHEMBL10442624 0.95 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL10442622 0.95 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL10442623 0.95 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL11858505 0.93 ALDH1A1 (0.32) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31547150 0.93 ALDH1A1 (0.32) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11868988 0.91 CA1 (0.31) ALDH1A1NOS3NOS1NOS2MAPT
SCHEMBL2299371 0.91 MAPT (0.32) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11857778 0.91 MAPT (0.32) ALDH1A1MAPTMEN1KMT2AHPGD

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
EP-1538215-B1 PROCESSES FOR PRODUCING LACTONE TAKASAGO PERFUMERY CO LTD (JP) 2014-11-12 EP disclosed
US-7592350-B2 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2009-09-22 US disclosed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 US disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 EP disclosed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 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 (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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 1315/4885NOS3 1816/4885NOS1 1228/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 1315/4885NOS3 1816/4885NOS1 1228/4885

“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.