SCHEMBL9906237

SCHEMBL9906237

O=C(CCCCC1CCSS1)Oc1cc2c(cc1C(=O)N1CCC[C@H]1C(=O)O)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TARDBP Q13148 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13495590 0.77 KMT2A (0.48) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL9906233 0.76 HSD17B10 (0.42) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL7915892 0.72 HSD17B10 (0.57) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL10067900 0.72 HSD17B10 (0.57) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL9906234 0.72 KMT2A (0.46) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL9906235 0.72 KMT2A (0.38) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL9906249 0.72 HTR1A (0.42) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL15034474 0.71 BCHE (0.41) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL7919690 0.69 HSD17B10 (0.56) HSD17B10TSHRKMT2ATARDBPCYP2C9
SCHEMBL15339490 0.68 HSD17B10 (0.51) HSD17B10TSHRKMT2ATARDBPCYP2C9

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 7 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-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-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — WO 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
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 HSD17B10 163/4885TSHR 4351/4885KMT2A 1399/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT HSD17B10 130/4885TSHR 4563/4885KMT2A 1673/4885

“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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