SCHEMBL13488448

SCHEMBL13488448

COOCC1=C(NCc2ccc(-c3ccccc3)cc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ USP1 O94782 2/20 0.36
▸ WDR48 Q8TAF3 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL13488375 0.74 SLC6A2 (0.63) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL13488443 0.70 FFAR1 (0.42) KMT2AALDH1A1MAPTLMNABCHE
SCHEMBL19006636 0.62 FFAR1 (0.73) KMT2AALDH1A1MEN1FFAR1FFAR4
SCHEMBL9798992 0.62 FFAR1 (0.68) KMT2AMEN1RAB9AFFAR1FFAR4
SCHEMBL13952541 0.62 PPARG (0.46) ALDH1A1IDO1AGXTCYP1A2CYP2D6
SCHEMBL8648768 0.61 CA1 (0.52) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL1936330 0.61 POLB (0.49) KMT2AMAPTLMNAHPGDTDP1
SCHEMBL20183471 0.60 HIF1A (0.68) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL532465 0.60 KDM4E (0.70) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL3146138 0.60 IDO1 (0.61) ALDH1A1LMNARAB9AFFAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 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 (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-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME ACACA, COASY, ACACB KMT2A 2124/4885ALDH1A1 219/4885MAPT 3548/4885

“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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