SCHEMBL6929628

SCHEMBL6929628

COC(CNCCCCO)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ADRB2 P07550 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
SCHEMBL1246117 0.98 TDP1 (0.35) POLBPKMTDP1KDM4EALDH1A1
SCHEMBL1247101 0.98 TDP1 (0.35) POLBPKMTDP1KDM4EALDH1A1
SCHEMBL4302122 0.84 MEN1 (0.32) ALDH1A1HSD17B10
SCHEMBL987948 0.78 TSHR (0.50) ALDH1A1ANPEPERAP2
SCHEMBL1532449 0.78 TSHR (0.50) ALDH1A1ANPEPERAP2
SCHEMBL1668578 0.78 TSHR (0.50) ALDH1A1ANPEPERAP2
SCHEMBL19744358 0.78 CA12 (0.48) PKMTDP1HSD17B10CA1CA2
SCHEMBL10495800 0.78 TSHR (0.50) ALDH1A1ANPEPERAP2
SCHEMBL6055711 0.77 TSHR (0.46) ALDH1A1ANPEPERAP2CA1CA2
SCHEMBL21244314 0.77 CA12 (0.46) PKMHSD17B10CA1CA2CA12

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
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
CN-1067057-C Serotonin 5-HT1A and dopamin D2 receptor ligands LUNDBECK & CO AS H (DK) 2001-06-13 CN disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
CN-1154107-A 5-hydroxytryptamine 5-HT1AAnd dopamine D2Receptor ligands LUNDBECK & CO AS H (DK) 1997-07-09 CN disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 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-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D POLB 3843/4885PKM 2341/4885TDP1 3273/4885

“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.