SCHEMBL3398502

SCHEMBL3398502

COc1cccc(OC)c1-c1ccccc1P(C1CCCC1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TOP1 P11387 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28439942 0.98 HTR7 (0.40) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL20304 0.98 HTR7 (0.40) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL26657101 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL5502813 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL30068977 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL30181989 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL29391428 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL4216711 0.97 HTR7 (0.39) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL4444992 0.94 SMN1; SMN2 (0.38) HTR7HTR1ADRD2MEN1KMT2A
SCHEMBL29620279 0.93 HTR7 (0.36) HTR7HTR1ADRD2MEN1KMT2A

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-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 EP disclosed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 HTR7 2776/4885HTR1A 1865/4885DRD2 2206/4885

“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.