SCHEMBL3106033

SCHEMBL3106033

CC(C)CN1CC(C)NC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.48
SIGMAR1 Q99720 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
SCARB1 Q8WTV0 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17739002 1.00 PIK3CD (0.48) PIK3CDSIGMAR1MEN1KMT2ACYP2C9
SCHEMBL8406250 0.82 SIGMAR1 (0.33) PIK3CDSIGMAR1MEN1KMT2ACYP2C9
SCHEMBL3101511 0.80 SIGMAR1 (0.33) PIK3CDSIGMAR1MEN1KMT2ACYP2C9
SCHEMBL24508746 0.80 PIK3CD (0.37) PIK3CD
SCHEMBL13766676 0.79 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL20224771 0.79 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL3093184 0.79 TSHR (0.33) PIK3CDSIGMAR1MEN1KMT2ACYP2C9
SCHEMBL10446321 0.77
SCHEMBL18926695 0.76 PIK3CD (0.58) PIK3CDCYP2D6
SCHEMBL24343641 0.76 PIK3CD (0.48) PIK3CD

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-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
CN-101835820-A Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2010-09-15 CN disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP 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-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 PIK3CD 2861/4885SIGMAR1 299/4885MEN1 2920/4885

“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.