SCHEMBL17131847

SCHEMBL17131847

CCC(=O)c1c(O)n(C)c(=O)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ HTT P42858 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ TSHR P16473 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ PTBP1 P26599 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL12323475 0.72 MAPT (0.56) LMNAMAPTHSD17B10HTTSMN1; SMN2
SCHEMBL10257728 0.64 KMT2A (0.45) LMNAMAPTHSD17B10TSHRKDM4E
SCHEMBL21027734 0.64 MAPT (0.43) LMNAMAPTHSD17B10HTTSMN1; SMN2
SCHEMBL11799728 0.63 CYP2C19 (0.57) MAPTTSHRGAACYP1A2CYP2C19
SCHEMBL10804641 0.63 CHRNB2 (0.33) MAPTALDH1A1KDM4EGLANPSR1
SCHEMBL10997208 0.58 HTT (0.36) LMNAMAPTHSD17B10HTTSMN1; SMN2
SCHEMBL9752580 0.57 PLA2G2A (0.59) LMNAMAPTHSD17B10ALDH1A1TDP1
SCHEMBL2989475 0.56 MEN1 (0.61) MAPTHTTALDH1A1
Flopropione SCHEMBL26316 0.56 CYP3A4 (1.00) LMNAMAPTHSD17B10SMN1; SMN2TSHR
SCHEMBL17111287 0.56 MEN1 (0.45) LMNAMAPTHSD17B10SMN1; SMN2ALDH1A1

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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C LMNA 3900/4885MAPT 4286/4885HSD17B10 706/4885

“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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