SCHEMBL798304

SCHEMBL798304

Cc1ccccc1CN(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
F2 P00734 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.38
CTBP2 P56545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
SLC1A5 Q15758 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18172845 0.81 TSHR (0.40) MEN1KMT2AALDH1A1TSHRTP53
SCHEMBL28986134 0.81 TRPM8 (0.47) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL30264826 0.80 HSP90AA1 (0.47) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL572741 0.80 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL19716900 0.79 TSHR (0.41) MEN1KMT2AALDH1A1TSHRTP53
SCHEMBL7439248 0.79 MEN1 (0.46) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL219603 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL27627978 0.78 MEN1 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL25960256 0.78 MEN1 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4514025 0.78 MEN1 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674040-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-18 US disclosed
US-8394902-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-03-12 US disclosed
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US disclosed
US-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-09-15 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 (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-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof PICALM, PARN, PCBP1 SMN1; SMN2 2402/4885MEN1 2585/4885KMT2A 3696/4885
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK SMN1; SMN2 2977/4885MEN1 3180/4885KMT2A 3516/4885

“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.