SCHEMBL3208096

SCHEMBL3208096

CC(O)C#Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.59
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ USP2 O75604 7/20 0.52
▸ MAPT P10636 6/20 0.52
▸ GAA P10253 5/20 0.52
▸ LMNA P02545 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ RECQL P46063 3/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ CASP1 P29466 5/20 0.47
▸ CASP7 P55210 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ BRCA1 P38398 2/20 0.46

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
SCHEMBL3206016 0.84 SLC16A3 (0.64) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13486919 0.83 SLC16A3 (0.61) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13486904 0.82 SLC16A3 (0.61) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL29456891 0.82 SLC16A3 (0.66) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL2844010 0.82 SLC16A3 (0.66) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13486832 0.81 SLC16A3 (0.65) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13486874 0.81 KMT2A (0.64) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13129922 0.78 SLC16A3 (0.65) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL14129630 0.78 SLC16A3 (0.74) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13050804 0.78 SLC16A3 (0.70) SLC16A3MEN1KMT2AALDH1A1USP2

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-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 — — 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 SLC16A3 802/4885MEN1 2261/4885KMT2A 3808/4885

“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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