SCHEMBL3979591

SCHEMBL3979591

Nc1cccc(OCCCCCOc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
MAOB P27338 2/20 0.62
KCNA3 P22001 1/20 0.61
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
PRSS1 P07477 5/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PRSS2 P07478 1/20 0.51

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
SCHEMBL29502135 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL29437011 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL867463 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL5069212 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL18045563 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL18045565 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL18045584 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL18045545 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL865529 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4
SCHEMBL29437102 0.94 TSHR (0.82) TSHRMAOBKCNA3TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 TSHR 371/4885MAOB 3547/4885KCNA3 3192/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 TSHR 429/4885MAOB 3504/4885KCNA3 3151/4885

“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.