SCHEMBL4824874

SCHEMBL4824874

COC(=O)CC(NC(=O)c1cc(Br)ccc1O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TACR3 P29371 1/20 0.47
▸ AKR1C3 P42330 1/20 0.44
▸ ACACB O00763 2/20 0.42
▸ ACACA Q13085 2/20 0.42
▸ DCAF1 Q9Y4B6 1/20 0.42
▸ CTSA P10619 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ THRB P10828 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL5927665 0.93 POLB (0.53) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL4824690 0.91 CTSA (0.51) AKR1C3ACACBACACACTSAALDH1A1
SCHEMBL3992792 0.90 POLB (0.46) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL5926314 0.84 MEN1 (0.53) MEN1KMT2ATACR3DCAF1ALDH1A1
SCHEMBL5926431 0.82 MEN1 (0.42) POLBMEN1KMT2ATACR3AKR1C3
SCHEMBL5926932 0.82 MEN1 (0.42) POLBMEN1KMT2ATACR3AKR1C3
SCHEMBL5926569 0.82 LRRK2 (0.51) POLBMEN1KMT2ATACR3ACACB
SCHEMBL3972848 0.82 POLB (0.53) POLBMEN1KMT2ATACR3DCAF1
SCHEMBL4832041 0.80 HDAC1 (0.51) MEN1KMT2ATACR3ALDH1A1KDM4E
SCHEMBL4824867 0.80 HDAC1 (0.51) MEN1KMT2ATACR3ALDH1A1KDM4E

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO POLB 881/4885MEN1 3682/4885KMT2A 3319/4885

“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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