SCHEMBL2772078

SCHEMBL2772078

COC(=O)c1ccc(-c2ccc(OC)cc2OC)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 2/20 0.51
LMNA P02545 1/20 0.51
AHR P35869 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47

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
SCHEMBL2772885 0.90 KMT2A (0.56) KMT2ACA1CA2TP53GAA
SCHEMBL2772224 0.87 KDM4E (0.57) KMT2ACA1CA2NPC1LMNA
SCHEMBL1506532 0.84 CA1 (0.51) KMT2ACA1CA2NPC1LMNA
SCHEMBL16937873 0.84 TDP1 (0.57) KMT2ACA1CA2LMNASMN1; SMN2
SCHEMBL2772957 0.84 AKR1C3 (0.57) KMT2ARAB9AGAAMAPTALDH1A1
SCHEMBL31238850 0.82 MAPT (0.66) KMT2ACA1CA2NPC1LMNA
SCHEMBL12836646 0.82 CA1 (0.61) KMT2ACA1CA2NPC1LMNA
SCHEMBL1528983 0.82 CA1 (0.61) KMT2ACA1CA2LMNASMN1; SMN2
SCHEMBL28036048 0.81 KMT2A (0.56) KMT2ACA1CA2NPC1LMNA
SCHEMBL14950616 0.81 TDP1 (0.53) KMT2ACA1CA2LMNASMN1; SMN2

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-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 KMT2A 1416/4885CA1 2829/4885CA2 2987/4885

“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.