SCHEMBL9906248

SCHEMBL9906248

CCCC1Oc2cc(N)c(OC(=O)CCCCC3CCSS3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ TARDBP Q13148 2/20 0.44
▸ HTR1A P08908 4/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL9906238 0.91 KMT2A (0.45) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL13495590 0.86 KMT2A (0.48) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL9906249 0.81 HTR1A (0.42) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL9906235 0.74 KMT2A (0.38) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL9906233 0.71 HSD17B10 (0.42) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL13143684 0.70 KMT2A (0.54) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL13142892 0.70 KMT2A (0.54) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL13143681 0.70 KMT2A (0.54) KMT2ATARDBPHTR1ADRD2HSD17B10
SCHEMBL24601915 0.70 HSD17B10 (0.60) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL15339490 0.69 HSD17B10 (0.51) KMT2ATARDBPHTR1ADRD2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — 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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 KMT2A 1399/4885TARDBP 2677/4885HTR1A 1391/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT KMT2A 1673/4885TARDBP 2670/4885HTR1A 1522/4885

“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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