SCHEMBL5848843

SCHEMBL5848843

O=C(O)CCCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KMO O15229 4/20 0.54
PDE4B Q07343 1/20 0.51
HSD11B1 P28845 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SRD5A2 P31213 1/20 0.49

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
SCHEMBL6360749 0.96 TSHR (0.55) TSHRKMOPDE4BHSD11B1HDAC3
SCHEMBL5849219 0.95 HDAC3 (0.58) TSHRKMOPDE4BHSD11B1HDAC3
SCHEMBL727064 0.89 TSHR (0.59) TSHRKMOHSD11B1SRD5A2
SCHEMBL4609783 0.86 KMO (0.53) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL14775644 0.84 TSHR (0.52) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL6361425 0.83 HDAC3 (0.51) KMOPDE4BHDAC3HDAC4HDAC1
SCHEMBL12327101 0.83 TSHR (0.52) TSHRKMOHSD11B1SRD5A2
SCHEMBL5255144 0.82 KMO (0.50) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL634330 0.82 HSD17B3 (0.58) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL11548828 0.82 KMO (0.50) TSHRKMOHSD11B1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143415-A1 TREATMENT OF ANEURYSMS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-05-11 US disclosed
US-11376248-B2 Treatment of aneurysms GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-07-05 US disclosed
US-20200138810-A1 TREATMENT OF ANEURYSMS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-05-07 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20050100902-A1 5-cyano-1h-indole derivatives as antagonist of the inerleukine-8 receptors LABORATORIES FOURNIER S.A. (FR) 2005-05-12 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6605633-B1 Such as 5-Bromo-2-phenyl-1H-indole-3-butanoic acid FOURNIER INDUSTRIE ET SANTE (FR) 2003-08-12 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (4 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-20230143415-A1 TREATMENT OF ANEURYSMS KYNU, HAAO, HCAR2 TSHR 4479/4885KMO 7/4885PDE4B 1433/4885
US-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 TSHR 2238/4885KMO 2075/4885PDE4B 2591/4885
US-11376248-B2 Treatment of aneurysms KYNU, HAAO, HCAR2 TSHR 4479/4885KMO 7/4885PDE4B 1433/4885
US-20200138810-A1 TREATMENT OF ANEURYSMS KYNU, HAAO, HCAR2 TSHR 4479/4885KMO 7/4885PDE4B 1433/4885

“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.