SCHEMBL21065474

SCHEMBL21065474

CCCCCCCCC/C(=C/C(=O)O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.59
▸ SOAT1 P35610 1/20 0.59
▸ ICMT O60725 2/20 0.56
▸ ALB P02768 2/20 0.56
▸ EPHX1 P07099 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ HDAC8 Q9BY41 5/20 0.50
▸ HDAC3 O15379 4/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ TUBB4A P04350 2/20 0.48
▸ TUBB P07437 2/20 0.48
▸ TUBA3C P0DPH7 2/20 0.48
▸ TUBA1B P68363 2/20 0.48
▸ TUBA4A P68366 2/20 0.48
▸ TUBB4B P68371 2/20 0.48
▸ TUBB3 Q13509 2/20 0.48
▸ TUBB2A Q13885 2/20 0.48

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
SCHEMBL21065463 1.00 SOAT2 (0.59) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL10472081 0.87 ALDH1A1 (0.54) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL30271651 0.87 SOAT2 (0.56) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL19732872 0.87 SOAT2 (0.56) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL19751312 0.87 SOAT2 (0.56) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL6317070 0.87 HPGD (0.47) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL6317063 0.87 HPGD (0.47) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL6317067 0.87 HPGD (0.47) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL3974083 0.85 SOAT2 (0.53) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL3974081 0.85 SOAT2 (0.53) SOAT2SOAT1ICMTALBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis Universität Konstanz (DE) 2023-03-07 — — US disclosed
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis Universität Wien (AT) 2021-06-10 — — US disclosed
EP-3728193-A1 COMPOUND FOR USE AGAINST PATHOGENIC NEISSERIA AND HAEMOPHILUS SPECIES AND MORAXELLA CATARRHALIS Universität Konstanz (DE) 2020-10-28 — — EP disclosed
EP-3502095-A1 COMPOUND FOR USE AGAINST PATHOGENIC NEISSERIA AND HAEMOPHILUS SPECIES AND MORAXELLA CATARRHALIS Universität Konstanz (DE) 2019-06-26 — — EP 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 (2 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-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis MLEC, MPO, B3GNT2 SOAT2 3500/4885SOAT1 3315/4885ICMT 343/4885
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis MLEC, MPO, B3GNT2 SOAT2 3500/4885SOAT1 3315/4885ICMT 343/4885

“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.

Send feedback