SCHEMBL2687258

SCHEMBL2687258

COc1ccc2c(-c3ccc(C#Cc4ccccc4)cc3)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.60
▸ HPGD P15428 9/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ RECQL P46063 1/20 0.60
▸ LMNA P02545 1/20 0.57
▸ MAOB P27338 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CA9 Q16790 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51

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
SCHEMBL14997043 0.88 ALDH1A1 (0.68) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL12227473 0.88 ALDH1A1 (0.68) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL26804667 0.86 NOD2 (0.79) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL3761590 0.84 NOD2 (0.62) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL13691929 0.81 NOD2 (0.67) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL2689251 0.81 NOD2 (0.67) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL31114282 0.81 NOD2 (0.85) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL14424527 0.80 KDM4E (0.73) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL3761477 0.80 NOD2 (0.66) NOD2HPGDALDH1A1KDM4ERECQL
SCHEMBL13236780 0.79 NOD2 (0.68) NOD2HPGDALDH1A1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168796-B2 Fluorescent agent having ethynyl group NIPPON CHEMICAL WORKS CO., LTD. (JP) 2012-05-01 — — US disclosed
US-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP NIPPON CHEMICAL WORKS CO., LTD (JP) 2010-11-25 — — 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-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP IK, CCNE1, TAS2R45 NOD2 2011/4885HPGD 2515/4885ALDH1A1 105/4885

“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.

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