SCHEMBL12445676

SCHEMBL12445676

O=Cc1cccc(-c2ccccc2C=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM5 P41594 2/20 0.39
XDH P47989 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CCR1 P32246 1/20 0.36
TSHR P16473 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
TERT O14746 2/20 0.35
ERN1 O75460 1/20 0.34
CYP2A6 P11509 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL22402524 0.80 HTR2B (0.54) MEN1LMNAKMT2ATDP1HTR2B
SCHEMBL31047805 0.80 KDM4E (0.45) MEN1LMNAKMT2ATDP1ALDH1A1
SCHEMBL3341429 0.80 MEN1 (0.42) MEN1KMT2AGRM5HTR2BCCR1
SCHEMBL10751660 0.80 IDO1 (0.40) MEN1LMNAKMT2AHTR2BALDH1A1
SCHEMBL10752851 0.80 NPC1 (0.42) TERT
SCHEMBL2089813 0.80 KDM4E (0.45) MEN1LMNAKMT2ATDP1ALDH1A1
SCHEMBL10752747 0.80 TERT (0.47) MEN1KMT2ATDP1ALDH1A1TERT
SCHEMBL10756685 0.80 HSD17B10 (0.42) LMNAKMT2ATDP1HTR2BALDH1A1
SCHEMBL29476108 0.80 CCR1 (0.48) MEN1LMNAKMT2ATDP1ALDH1A1
SCHEMBL2151538 0.80 CCR1 (0.48) MEN1LMNAKMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310399-B1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2015-04-01 EP disclosed
US-7973116-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-07-05 US disclosed
US-7973116-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-07-05 US disclosed
WO-2010011435-A1 PYRIDYLDIAMIDO TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-01-28 WO disclosed
US-20100022726-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2010-01-28 US disclosed
US-20100022726-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2010-01-28 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-20100022726-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, NCLN, PARN MEN1 1585/4885LMNA 2135/4885THRB 3178/4885

“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.