SCHEMBL755202

SCHEMBL755202

CC(=O)c1ccccc1C(=O)Oc1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HPGD P15428 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ HMGB1 P09429 1/20 0.40

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
SCHEMBL734780 0.83 ALDH1A1 (0.41) KMT2AKDM4ELMNAHSD17B10CYP1A2
SCHEMBL28362029 0.81 KMT2A (0.65) KMT2AKDM4ELMNAHSD17B10CYP1A2
SCHEMBL11443998 0.80 SLC6A3 (0.60) KMT2AKDM4ELMNAHSD17B10CYP1A2
SCHEMBL5473941 0.80 PTGS2 (0.52) KDM4ELMNAHSD17B10CYP1A2CYP2C9
SCHEMBL21820768 0.79 SMN1; SMN2 (0.54) KMT2AKDM4ELMNASMN1; SMN2GAA
SCHEMBL734781 0.79 PTGDR2 (0.42) KMT2AKDM4ELMNAHSD17B10CYP1A2
SCHEMBL11431485 0.79 SCN1A (0.46) KMT2AKDM4ELMNAHSD17B10CYP1A2
SCHEMBL27689216 0.78 ALDH1A1 (0.49) KDM4ESMN1; SMN2GAAALDH1A1TSHR
SCHEMBL180961 0.77 ALDH1A1 (0.48) KDM4ELMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL6567956 0.77 KMT2A (0.58) KMT2ALMNAHSD17B10SMN1; SMN2GAA

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 — — US disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 — — US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 — — US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 — — 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR KMT2A 1866/4885KDM4E 1717/4885LMNA 1388/4885

“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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