SCHEMBL9968784

SCHEMBL9968784

CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3cccc(C)c3)cc2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)O)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.52
CNR1 P21554 9/20 0.52
THRB P10828 2/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
S1PR1 P21453 2/20 0.41

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
SCHEMBL26772615 0.98 CNR2 (0.52) CNR2CNR1THRBMEN1APEX1
SCHEMBL9968788 0.95 CNR2 (0.47) CNR2CNR1THRBMEN1APEX1
SCHEMBL14499815 0.94 THRB (0.53) CNR2CNR1THRBMEN1APEX1
SCHEMBL9968786 0.91 THRB (0.47) CNR2CNR1THRBMEN1APEX1
SCHEMBL19650671 0.91 CNR2 (0.52) CNR2CNR1THRBMEN1APEX1
SCHEMBL13601252 0.91 THRB (0.52) CNR2CNR1THRBMEN1APEX1
SCHEMBL29231144 0.87 CNR2 (0.55) CNR2CNR1THRBMEN1APEX1
SCHEMBL18733755 0.87 THRB (0.49) CNR2CNR1THRBMEN1APEX1
SCHEMBL9968783 0.86 SNCA (0.47) CNR2CNR1THRBMEN1APEX1
SCHEMBL19428162 0.86 THRB (0.49) CNR2CNR1THRBMEN1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160348043-A1 HIGH-EFFICIENCY PERFUME CAPSULES PROCTER & GAMBLE (US) 2016-12-01 US disclosed
US-9493730-B2 Cleaning composition comprising amylase variants with high stability in the presence of a chelating agent THE PROCTER & GAMBLE COMPANY (US) 2016-11-15 US disclosed
US-20140249069-A1 HIGH-EFFICIENCY PERFUME CAPSULES THE PROCTER & GAMBLE COMPANY (US) 2014-09-04 US disclosed
US-8785171-B2 Fabric and home care products comprising cold water proteases THE PROCTER & GAMBLE COMPANY (US) 2014-07-22 US disclosed
US-20140193888-A1 FABRIC AND HOME CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-10 US disclosed
US-8759275-B2 High-efficiency perfume capsules THE PROCTOR & GAMBLE COMPANY (US) 2014-06-24 US disclosed
US-8586521-B2 Method of laundering fabrics at low temperature THE PROCTER & GAMBLE COMPANY (US) 2013-11-19 US disclosed
US-8449626-B2 Cleaning method THE PROCTER & GAMBLE COMPANY (US) 2013-05-28 US disclosed
US-20120151684-A1 METHOD OF LAUNDERING FABRICS AT LOW TEMPERATURE PROCTER & GAMBLE COMPANY, THE 2012-06-21 US disclosed
US-20110257065-A1 Detergent Composition THE PROCTER & GAMBLE COMPANY 2011-10-20 US disclosed
US-20110237487-A1 FABRIC AND HOME CARE PRODUCTS THE PROCTER & GAMBLE COMPANY 2011-09-29 US disclosed
US-20110212876-A1 CLEANING COMPOSITION COMPRISING AMYLASE VARIANTS WITH HIGH STABILITY IN THE PRESENCE OF A CHELATING AGENT THE PROCTER & GAMBLE COMPANY 2011-09-01 US disclosed
US-20110195481-A1 Variants And Compositions Comprising Variants With High Stability In Presence Of A Chelating Agent NOVOZYMES A/S (DK) 2011-08-11 US disclosed
US-20110107527-A1 CLEANING METHOD THE PROCTER & GAMBLE COMPANY 2011-05-12 US disclosed
US-20110111999-A1 HIGH-EFFICIENCY PERFUME CAPSULES THE PROCTER & GAMBLE COMPANY 2011-05-12 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 (4 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-20110107527-A1 CLEANING METHOD CAT, MPO, LBR CNR2 4683/4885CNR1 4641/4885THRB 4167/4885
US-20110111999-A1 HIGH-EFFICIENCY PERFUME CAPSULES PLIN5, PORCN, PIGS CNR2 549/4885CNR1 852/4885THRB 4809/4885
US-20160348043-A1 HIGH-EFFICIENCY PERFUME CAPSULES PLIN5, PORCN, PIGS CNR2 549/4885CNR1 852/4885THRB 4809/4885
US-20110195481-A1 Variants And Compositions Comprising Variants With High Stability In Presence Of A Chelating Agent RNASE1, AMY2A, AMY1A CNR2 4708/4885CNR1 4519/4885THRB 4235/4885

“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.