SCHEMBL5570712

SCHEMBL5570712

OCC(OC1CCCCO1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
GSR P00390 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKG1 Q13976 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGER4 P35408 1/20 0.36
GAA P10253 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL14233518 1.00 SLC6A3 (0.43) SLC6A3GSRMEN1KMT2AKDM4C
SCHEMBL5160820 1.00 SLC6A3 (0.43) SLC6A3GSRMEN1KMT2AKDM4C
SCHEMBL5160815 1.00 SLC6A3 (0.43) SLC6A3GSRMEN1KMT2AKDM4C
SCHEMBL16070743 0.86 MEN1 (0.34) SLC6A3MEN1KMT2AKDM4CPTGER4
SCHEMBL11936252 0.85 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL7151281 0.85 SLC6A3 (0.40) SLC6A3MEN1KMT2AKDM4CHPGD
SCHEMBL7260416 0.85 PTGER4 (0.44) SLC6A3PRKG1PTGER4
SCHEMBL7260421 0.85 PTGER4 (0.44) SLC6A3PRKG1PTGER4
SCHEMBL5156166 0.85 PTGER4 (0.44) SLC6A3PRKG1PTGER4
SCHEMBL5156160 0.85 PTGER4 (0.44) SLC6A3PRKG1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed
US-7261836-B2 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-08-28 US disclosed
US-7261836-B2 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-08-28 US disclosed
US-7261836-B2 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-08-28 US disclosed
US-20060022167-A1 Chiral dopant with phenylethanediol functionality KONINKLIJKE PHILIPS ELECTRONICS N.V. 2006-02-02 US disclosed
EP-1519910-A1 CHIRAL DOPANT WITH PHENYLETHANEDIOL FUNCTIONALITY Koninklijke Philips Electronics N.V. (NL) 2005-04-06 EP disclosed
WO-2004002935-A1 CHIRAL DOPANT WITH PHENYLETHANEDIOL FUNCTIONALITY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-01-08 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-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 SLC6A3 841/4885GSR 1327/4885MEN1 2639/4885
US-20060022167-A1 Chiral dopant with phenylethanediol functionality CRY2, CRY1, DDT SLC6A3 930/4885GSR 3616/4885MEN1 1406/4885

“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.