SCHEMBL89411

SCHEMBL89411

COCCN1C(=O)COc2ccc(C)cc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
HTT P42858 1/20 0.62
PLK1 P53350 1/20 0.58
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2D6 P10635 2/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL89401 0.92 TSHR (0.71) TSHRHTTPLK1POLBMEN1
SCHEMBL89003 0.91 TSHR (0.70) TSHRHTTPLK1POLBMEN1
SCHEMBL10196932 0.89 TSHR (0.55) TSHRHTTPLK1POLBMEN1
SCHEMBL10183131 0.87 TSHR (0.60) TSHRHTTPLK1POLBMEN1
SCHEMBL13091199 0.85 TSHR (0.67) TSHRHTTPLK1POLBMEN1
SCHEMBL5986135 0.84 TSHR (0.70) TSHRHTTPLK1POLBMEN1
SCHEMBL16897924 0.83 TSHR (0.65) TSHRHTTPLK1POLBMEN1
SCHEMBL4059758 0.82 TSHR (0.64) TSHRHTTPLK1POLBMEN1
SCHEMBL13618628 0.82 TSHR (0.64) TSHRHTTPLK1POLBMEN1
SCHEMBL16897914 0.82 TSHR (0.69) TSHRHTTPLK1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885HTT 943/4885PLK1 3148/4885

“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.